MiMeDB: Showing metabocard for PI(18:0/0:0) (MMDBc0033309)

Microbial

Human

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:43:22 UTC

Update Date

2025-10-07 16:07:58 UTC

Metabolite ID

MMDBc0033309

Metabolite Identification

Common Name

PI(18:0/0:0)

Description

PI(18:0/0:0) is a phosphatidylinositol, a type of glycerophospholipid. There is limited literature available on this specific metabolite, indicating a need for further research to understand its biological significance and potential roles in metabolic pathways.

Structure

MOL SDF PDB SMILES InChI

PI(18:0/0:0)
  Mrv1652309201800072D          

 41 41  0  0  0  0            999 V2000
   -2.6339    0.3607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3441    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235   -0.3495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0443   -0.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236    0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2134    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    0.6438    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3853    0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    1.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5043   -0.1685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8092    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161   -0.1685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7898    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053    1.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    1.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4744    0.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    1.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4786    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1927    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9068    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6209    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3351    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0492    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7633    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4774    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1915    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9057    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6198    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3339    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0480    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7621    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4763    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1904    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9045    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 23  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 15  1  1  0  0  0
 14 15  1  1  0  0  0
 13 18  1  0  0  0  0
  8 14  1  0  0  0  0
 15 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
  7  9  1  0  0  0  0
  1  5  1  6  0  0  0
  1  4  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END

PI(18:0/0:0)
  Mrv1652309201800072D          

 41 41  0  0  0  0            999 V2000
   -2.6339    0.3607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3441    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235   -0.3495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0443   -0.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236    0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2134    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    0.6438    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3853    0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    1.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5043   -0.1685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8092    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161   -0.1685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7898    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053    1.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    1.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4744    0.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    1.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4786    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1927    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9068    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6209    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3351    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0492    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7633    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4774    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1915    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9057    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6198    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3339    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0480    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7621    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4763    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1904    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9045    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 23  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 15  1  1  0  0  0
 14 15  1  1  0  0  0
 13 18  1  0  0  0  0
  8 14  1  0  0  0  0
 15 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
  7  9  1  0  0  0  0
  1  5  1  6  0  0  0
  1  4  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033309

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22?,23-,24?,25?,26?,27-/m1/s1

> <INCHI_KEY>
MXAFDFDAIFZFET-HULSJBAWSA-N

> <FORMULA>
C27H53O12P

> <MOLECULAR_WEIGHT>
600.6763

> <EXACT_MASS>
600.327463672

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
93

> <JCHEM_AVERAGE_POLARIZABILITY>
66.85514339709677

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-2-hydroxy-3-(octadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

> <ALOGPS_LOGP>
3.11

> <JCHEM_LOGP>
2.962139317666667

> <ALOGPS_LOGS>
-4.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.339055972873329

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8335386408406524

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4040034470113856

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
146.1784

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.28e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-hydroxy-3-(octadecanoyloxy)propoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-SEP-18   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: PI(18:0/0:0)                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-SEP-18         0                                  
HETATM    1  C   UNK     0      -4.917   0.673   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.242   1.436   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -7.568   0.673   0.000  0.00  0.00           O+0
HETATM    4  H   UNK     0      -4.151  -0.652   0.000  0.00  0.00           H+0
HETATM    5  O   UNK     0      -5.683  -0.652   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -3.591   1.439   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.265   0.673   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       1.352   0.634   0.000  0.00  0.00           O+0
HETATM    9  P   UNK     0      -0.044   1.202   0.000  0.00  0.00           P+0
HETATM   10  O   UNK     0      -0.719   0.031   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.044   2.598   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.505   1.235   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.072   1.885   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.808  -0.315   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.244   0.342   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.683  -0.315   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.941   1.885   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.593   1.488   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.236   2.282   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       7.398   2.342   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       9.379   0.241   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      10.219   1.562   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -8.894   1.436   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -8.894   2.876   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0     -10.227   0.665   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -11.560   1.436   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -12.893   0.665   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -14.226   1.436   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -15.559   0.665   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -16.892   1.436   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -18.225   0.665   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -19.558   1.436   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -20.891   0.665   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -22.224   1.436   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -23.557   0.665   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -24.890   1.436   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -26.223   0.665   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -27.556   1.436   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -28.889   0.665   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -30.222   1.436   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -31.555   0.665   0.000  0.00  0.00           C+0
CONECT    1    2    6    5    4                                             
CONECT    2    1    3                                                       
CONECT    3    2   23                                                       
CONECT    4    1                                                            
CONECT    5    1                                                            
CONECT    6    1    7                                                       
CONECT    7    6    9                                                       
CONECT    8    9   14                                                       
CONECT    9    8   10   11    7                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12   13   17   20                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15    8                                                  
CONECT   15   16   14   19                                                  
CONECT   16   17   15   21                                                  
CONECT   17   12   16   22                                                  
CONECT   18   13                                                            
CONECT   19   15                                                            
CONECT   20   12                                                            
CONECT   21   16                                                            
CONECT   22   17                                                            
CONECT   23    3   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   82    0
END

Synonyms

Value	Source
1-Stearoyl-glycero-3-phospho-(1'-myo-inositol)	SMPDB, HMDB
1-Stearoyl-lysophosphatidylinositol	SMPDB, HMDB
1-Stearoyl-GPI	SMPDB, HMDB
LysoPI(18:0/0:0)	SMPDB
LysoPI(18:0)	SMPDB, HMDB
LPI(18:0/0:0)	SMPDB, HMDB
LPI(18:0)	SMPDB, HMDB
Lysophosphatidylinositol(18:0/0:0)	SMPDB, HMDB
Lysophosphatidylinositol(18:0)	SMPDB, HMDB
PI(18:0/0:0)	SMPDB, HMDB
1-Stearoylglycerophosphoinositol	HMDB

Molecular Formula

C₂₇H₅₃O₁₂P

Average Mass

600.6763

Monoisotopic Mass

600.327463672

IUPAC Name

[(2R)-2-hydroxy-3-(octadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

Traditional Name

(2R)-2-hydroxy-3-(octadecanoyloxy)propoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O

InChI Identifier

InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22?,23-,24?,25?,26?,27-/m1/s1

InChI Key

MXAFDFDAIFZFET-HULSJBAWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-acyl-sn-glycerol-3-phosphoinositols. These are glycerophosphoinositols where the glycerol is acylated only at position O-1 with a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoinositols

Direct Parent

1-acyl-sn-glycerol-3-phosphoinositols

Alternative Parents

Substituents

1-acyl-sn-glycerol-3-phosphoinositol
Inositol phosphate
Dialkyl phosphate
Cyclohexanol
Fatty acid ester
Cyclitol or derivatives
Fatty acyl
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Cyclic alcohol
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Polyol
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Alcohol
Organooxygen compound
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Monoacylglycerophosphoinositols (LMGP06050004 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.053 g/L	ALOGPS
logP	3.11	ALOGPS
logP	2.96	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	1.83	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	24	ChemAxon
Refractivity	146.18 m³·mol⁻¹	ChemAxon
Polarizability	66.86 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_4_29) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0gc0-1598335000-f2449169fbf28c0b83af	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014l-2295010000-d5de5dc1330849608eea	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03xu-7951000000-b6983e1158e61c7282d2	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00ls-0091040000-e623e2247a792739f35f	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00o0-3191000000-ed2f6b35983b11eadf3d	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9030000000-94d3e340c4fd92ba35bb	2019-02-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (void)	2025-10-24	475.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-24	116.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	619.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	679.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	549.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	167.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (retained)	2025-10-24	2738.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	568.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	265.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	366.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	43.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	183.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	177.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	142.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	268.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	336.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	423.3
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1345.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	1153.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	PI(18:0/0:0)_TMS_1	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1993.24
Gas Chromatography	PI(18:0/0:0)_TMS_2	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	1721.97
Gas Chromatography	PI(18:0/0:0)_TMS_3	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	3254.02
Gas Chromatography	PI(18:0/0:0)_TMS_4	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	1739.2
Gas Chromatography	PI(18:0/0:0)_TMS_5	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1396.58
Gas Chromatography	PI(18:0/0:0)_TMS_6	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1888.58
Gas Chromatography	PI(18:0/0:0)_TMS_7	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1585.69
Gas Chromatography	PI(18:0/0:0)_TMS_8	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1602.99
Gas Chromatography	PI(18:0/0:0)_TMS_9	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	950.408
Gas Chromatography	PI(18:0/0:0)_TMS_10	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1804.12
Gas Chromatography	PI(18:0/0:0)_TMS_11	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	3479.64
Gas Chromatography	PI(18:0/0:0)_TMS_12	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2416.48
Gas Chromatography	PI(18:0/0:0)_TMS_13	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2092.11
Gas Chromatography	PI(18:0/0:0)_TMS_14	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	1580.25
Gas Chromatography	PI(18:0/0:0)_TMS_15	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	2096.88
Gas Chromatography	PI(18:0/0:0)_TMS_16	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2409.1
Gas Chromatography	PI(18:0/0:0)_TMS_17	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2641.02
Gas Chromatography	PI(18:0/0:0)_TMS_18	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1650.5
Gas Chromatography	PI(18:0/0:0)_TMS_19	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	1155.1
Gas Chromatography	PI(18:0/0:0)_TMS_20	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2027.86
Gas Chromatography	PI(18:0/0:0)_TMS_21	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1329.31
Gas Chromatography	PI(18:0/0:0)_TMS_22	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2223.2
Gas Chromatography	PI(18:0/0:0)_TMS_23	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2088.72
Gas Chromatography	PI(18:0/0:0)_TMS_24	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	3331.92
Gas Chromatography	PI(18:0/0:0)_TMS_25	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	965.227
Gas Chromatography	PI(18:0/0:0)_TMS_26	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1390.69
Gas Chromatography	PI(18:0/0:0)_TMS_27	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1706.8
Gas Chromatography	PI(18:0/0:0)_TMS_28	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2176.25
Gas Chromatography	PI(18:0/0:0)_TMS_29	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1203.93
Gas Chromatography	PI(18:0/0:0)_TMS_30	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2618.03
Gas Chromatography	PI(18:0/0:0)_TMS_31	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2678.48
Gas Chromatography	PI(18:0/0:0)_TMS_32	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	770.639
Gas Chromatography	PI(18:0/0:0)_TMS_33	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3506.49
Gas Chromatography	PI(18:0/0:0)_TMS_34	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	3420.56
Gas Chromatography	PI(18:0/0:0)_TMS_35	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2913.62
Gas Chromatography	PI(18:0/0:0)_TMS_36	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2026.38
Gas Chromatography	PI(18:0/0:0)_TMS_37	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1709.81
Gas Chromatography	PI(18:0/0:0)_TMS_38	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2578.11
Gas Chromatography	PI(18:0/0:0)_TMS_39	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2488.16
Gas Chromatography	PI(18:0/0:0)_TMS_40	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1507.77
Gas Chromatography	PI(18:0/0:0)_TMS_41	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2335.3
Gas Chromatography	PI(18:0/0:0)_TMS_42	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1262.82
Gas Chromatography	PI(18:0/0:0)_TMS_43	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2884.33
Gas Chromatography	PI(18:0/0:0)_TMS_44	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	1942.84
Gas Chromatography	PI(18:0/0:0)_TMS_45	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2737.87
Gas Chromatography	PI(18:0/0:0)_TMS_46	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2841.84
Gas Chromatography	PI(18:0/0:0)_TMS_47	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1905.99
Gas Chromatography	PI(18:0/0:0)_TMS_48	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	926.467
Gas Chromatography	PI(18:0/0:0)_TMS_49	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1425.65
Gas Chromatography	PI(18:0/0:0)_TMS_50	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1817.3
Gas Chromatography	PI(18:0/0:0)_TMS_51	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1448.76
Gas Chromatography	PI(18:0/0:0)_TMS_52	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1230.61
Gas Chromatography	PI(18:0/0:0)_TMS_53	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1215.79
Gas Chromatography	PI(18:0/0:0)_TMS_54	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2390.27
Gas Chromatography	PI(18:0/0:0)_TMS_55	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	23.453
Gas Chromatography	PI(18:0/0:0)_TMS_56	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1807.33
Gas Chromatography	PI(18:0/0:0)_TMS_57	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1688.0
Gas Chromatography	PI(18:0/0:0)_TMS_58	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	984.538
Gas Chromatography	PI(18:0/0:0)_TMS_59	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2037.99
Gas Chromatography	PI(18:0/0:0)_TMS_60	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2887.63
Gas Chromatography	PI(18:0/0:0)_TMS_61	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1965.23
Gas Chromatography	PI(18:0/0:0)_TMS_62	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1404.44
Gas Chromatography	PI(18:0/0:0)_TMS_63	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1625.72
Gas Chromatography	PI(18:0/0:0)_TMS_64	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1813.29
Gas Chromatography	PI(18:0/0:0)_TMS_65	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1216.68
Gas Chromatography	PI(18:0/0:0)_TMS_66	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1410.76
Gas Chromatography	PI(18:0/0:0)_TMS_67	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2270.49
Gas Chromatography	PI(18:0/0:0)_TMS_68	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1789.81
Gas Chromatography	PI(18:0/0:0)_TMS_69	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	585.572
Gas Chromatography	PI(18:0/0:0)_TMS_70	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1878.43
Gas Chromatography	PI(18:0/0:0)_TMS_71	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1960.56
Gas Chromatography	PI(18:0/0:0)_TMS_72	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3291.9
Gas Chromatography	PI(18:0/0:0)_TMS_73	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1069.98
Gas Chromatography	PI(18:0/0:0)_TMS_74	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2511.01
Gas Chromatography	PI(18:0/0:0)_TMS_75	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1126.07
Gas Chromatography	PI(18:0/0:0)_TMS_76	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2592.99
Gas Chromatography	PI(18:0/0:0)_TMS_77	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1397.43
Gas Chromatography	PI(18:0/0:0)_TMS_78	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	395.43
Gas Chromatography	PI(18:0/0:0)_TMS_79	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1095.29
Gas Chromatography	PI(18:0/0:0)_TMS_80	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2093.98
Gas Chromatography	PI(18:0/0:0)_TMS_81	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1648.9
Gas Chromatography	PI(18:0/0:0)_TMS_82	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1457.78
Gas Chromatography	PI(18:0/0:0)_TMS_83	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2223.77
Gas Chromatography	PI(18:0/0:0)_TMS_84	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	465.263
Gas Chromatography	PI(18:0/0:0)_TMS_85	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2115.41
Gas Chromatography	PI(18:0/0:0)_TMS_86	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2711.36
Gas Chromatography	PI(18:0/0:0)_TMS_87	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2193.4
Gas Chromatography	PI(18:0/0:0)_TMS_88	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1518.74
Gas Chromatography	PI(18:0/0:0)_TMS_89	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1415.55
Gas Chromatography	PI(18:0/0:0)_TMS_90	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1581.35
Gas Chromatography	PI(18:0/0:0)_TMS_91	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1977.49
Gas Chromatography	PI(18:0/0:0)_TMS_92	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1698.52
Gas Chromatography	PI(18:0/0:0)_TMS_93	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1613.73
Gas Chromatography	PI(18:0/0:0)_TMS_94	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1181.22
Gas Chromatography	PI(18:0/0:0)_TMS_95	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1479.28
Gas Chromatography	PI(18:0/0:0)_TMS_96	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2121.01
Gas Chromatography	PI(18:0/0:0)_TMS_97	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2784.83
Gas Chromatography	PI(18:0/0:0)_TMS_98	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2669.82
Gas Chromatography	PI(18:0/0:0)_TMS_1	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2151.96
Gas Chromatography	PI(18:0/0:0)_TMS_2	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O	standard polar	2025-10-24	2541.49
Gas Chromatography	PI(18:0/0:0)_TMS_3	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard polar	2025-10-24	1962.6
Gas Chromatography	PI(18:0/0:0)_TMS_4	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	3398.98
Gas Chromatography	PI(18:0/0:0)_TMS_5	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	3415.33
Gas Chromatography	PI(18:0/0:0)_TMS_6	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2346.34
Gas Chromatography	PI(18:0/0:0)_TMS_7	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	669.735
Gas Chromatography	PI(18:0/0:0)_TMS_8	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2858.62
Gas Chromatography	PI(18:0/0:0)_TMS_9	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2416.22
Gas Chromatography	PI(18:0/0:0)_TMS_10	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3225.63
Gas Chromatography	PI(18:0/0:0)_TMS_11	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2865.98
Gas Chromatography	PI(18:0/0:0)_TMS_12	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2493.55
Gas Chromatography	PI(18:0/0:0)_TMS_13	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2376.06
Gas Chromatography	PI(18:0/0:0)_TMS_14	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard polar	2025-10-24	2556.23
Gas Chromatography	PI(18:0/0:0)_TMS_15	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	2022.99
Gas Chromatography	PI(18:0/0:0)_TMS_16	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	1639.19
Gas Chromatography	PI(18:0/0:0)_TMS_17	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	1235.92
Gas Chromatography	PI(18:0/0:0)_TMS_18	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3504.86
Gas Chromatography	PI(18:0/0:0)_TMS_19	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	1251.99
Gas Chromatography	PI(18:0/0:0)_TMS_20	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	3063.41
Gas Chromatography	PI(18:0/0:0)_TMS_21	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2688.88
Gas Chromatography	PI(18:0/0:0)_TMS_22	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1125.3
Gas Chromatography	PI(18:0/0:0)_TMS_23	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2835.34
Gas Chromatography	PI(18:0/0:0)_TMS_24	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2095.01
Gas Chromatography	PI(18:0/0:0)_TMS_25	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	709.433
Gas Chromatography	PI(18:0/0:0)_TMS_26	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2394.52
Gas Chromatography	PI(18:0/0:0)_TMS_27	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1027.72
Gas Chromatography	PI(18:0/0:0)_TMS_28	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2034.76
Gas Chromatography	PI(18:0/0:0)_TMS_29	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2626.12
Gas Chromatography	PI(18:0/0:0)_TMS_30	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1971.14
Gas Chromatography	PI(18:0/0:0)_TMS_31	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	226.477
Gas Chromatography	PI(18:0/0:0)_TMS_32	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2509.07
Gas Chromatography	PI(18:0/0:0)_TMS_33	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	-325.934
Gas Chromatography	PI(18:0/0:0)_TMS_34	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1470.27
Gas Chromatography	PI(18:0/0:0)_TMS_35	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3435.66
Gas Chromatography	PI(18:0/0:0)_TMS_36	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1323.84
Gas Chromatography	PI(18:0/0:0)_TMS_37	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3336.81
Gas Chromatography	PI(18:0/0:0)_TMS_38	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1844.54
Gas Chromatography	PI(18:0/0:0)_TMS_39	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2798.75
Gas Chromatography	PI(18:0/0:0)_TMS_40	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2368.95
Gas Chromatography	PI(18:0/0:0)_TMS_41	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1321.0
Gas Chromatography	PI(18:0/0:0)_TMS_42	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1817.68
Gas Chromatography	PI(18:0/0:0)_TMS_43	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1683.2
Gas Chromatography	PI(18:0/0:0)_TMS_44	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	2461.98
Gas Chromatography	PI(18:0/0:0)_TMS_45	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2339.19
Gas Chromatography	PI(18:0/0:0)_TMS_46	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	3361.62
Gas Chromatography	PI(18:0/0:0)_TMS_47	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1318.81
Gas Chromatography	PI(18:0/0:0)_TMS_48	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	1923.62
Gas Chromatography	PI(18:0/0:0)_TMS_49	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	1917.72
Gas Chromatography	PI(18:0/0:0)_TMS_50	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2051.9
Gas Chromatography	PI(18:0/0:0)_TMS_51	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2339.25
Gas Chromatography	PI(18:0/0:0)_TMS_52	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1581.97
Gas Chromatography	PI(18:0/0:0)_TMS_53	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1682.13
Gas Chromatography	PI(18:0/0:0)_TMS_54	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	1544.04
Gas Chromatography	PI(18:0/0:0)_TMS_55	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	635.577
Gas Chromatography	PI(18:0/0:0)_TMS_56	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1883.59
Gas Chromatography	PI(18:0/0:0)_TMS_57	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2454.31
Gas Chromatography	PI(18:0/0:0)_TMS_58	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1029.65
Gas Chromatography	PI(18:0/0:0)_TMS_59	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2971.5
Gas Chromatography	PI(18:0/0:0)_TMS_60	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	958.539
Gas Chromatography	PI(18:0/0:0)_TMS_61	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1340.17
Gas Chromatography	PI(18:0/0:0)_TMS_62	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3593.43
Gas Chromatography	PI(18:0/0:0)_TMS_63	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2915.74
Gas Chromatography	PI(18:0/0:0)_TMS_64	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1590.47
Gas Chromatography	PI(18:0/0:0)_TMS_65	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1873.75
Gas Chromatography	PI(18:0/0:0)_TMS_66	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2171.83
Gas Chromatography	PI(18:0/0:0)_TMS_67	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2607.24
Gas Chromatography	PI(18:0/0:0)_TMS_68	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1747.21
Gas Chromatography	PI(18:0/0:0)_TMS_69	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2909.48
Gas Chromatography	PI(18:0/0:0)_TMS_70	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	113.169
Gas Chromatography	PI(18:0/0:0)_TMS_71	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	897.955
Gas Chromatography	PI(18:0/0:0)_TMS_72	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2465.91
Gas Chromatography	PI(18:0/0:0)_TMS_73	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2760.85
Gas Chromatography	PI(18:0/0:0)_TMS_74	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2102.13
Gas Chromatography	PI(18:0/0:0)_TMS_75	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2995.6
Gas Chromatography	PI(18:0/0:0)_TMS_76	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2433.53
Gas Chromatography	PI(18:0/0:0)_TMS_77	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1383.44
Gas Chromatography	PI(18:0/0:0)_TMS_78	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	331.576
Gas Chromatography	PI(18:0/0:0)_TMS_79	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1383.68
Gas Chromatography	PI(18:0/0:0)_TMS_80	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3977.36
Gas Chromatography	PI(18:0/0:0)_TMS_81	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1081.72
Gas Chromatography	PI(18:0/0:0)_TMS_82	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	600.378
Gas Chromatography	PI(18:0/0:0)_TMS_83	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	4575.53
Gas Chromatography	PI(18:0/0:0)_TMS_84	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	3319.98
Gas Chromatography	PI(18:0/0:0)_TMS_85	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2270.51
Gas Chromatography	PI(18:0/0:0)_TMS_86	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1777.79
Gas Chromatography	PI(18:0/0:0)_TMS_87	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2676.79
Gas Chromatography	PI(18:0/0:0)_TMS_88	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1874.23
Gas Chromatography	PI(18:0/0:0)_TMS_89	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2203.47
Gas Chromatography	PI(18:0/0:0)_TMS_90	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1758.51
Gas Chromatography	PI(18:0/0:0)_TMS_91	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1509.21
Gas Chromatography	PI(18:0/0:0)_TMS_92	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1413.87
Gas Chromatography	PI(18:0/0:0)_TMS_93	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	691.105
Gas Chromatography	PI(18:0/0:0)_TMS_94	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2425.89
Gas Chromatography	PI(18:0/0:0)_TMS_95	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1792.03
Gas Chromatography	PI(18:0/0:0)_TMS_96	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1298.73
Gas Chromatography	PI(18:0/0:0)_TMS_97	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3663.57
Gas Chromatography	PI(18:0/0:0)_TMS_98	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3765.99

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
phosphatidylinositol (PI(18:0/16:1(9Z))) Biosynthesis
phosphatidylinositol (PI(18:0/18:1(11Z))) Biosynthesis
phosphatidylinositol (PI(18:0/18:1(9Z))) Biosynthesis
phosphatidylinositol (PI(18:0/18:2(9Z,12Z))) Biosynthesis
phosphatidylinositol (PI(18:0/20:4(5Z,8Z,11Z,14Z))) Biosynthesis

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]

Showing metabocard for PI(18:0/0:0) (MMDBc0033309)

MOL for #<Metabolite:0x00007f9ac01ddfc8>

3D MOL for #<Metabolite:0x00007f9ac01ddfc8>

3D SDF for #<Metabolite:0x00007f9ac01ddfc8>

3D-SDF for #<Metabolite:0x00007f9ac01ddfc8>

PDB for #<Metabolite:0x00007f9ac01ddfc8>

3D PDB for #<Metabolite:0x00007f9ac01ddfc8>

SMILES for #<Metabolite:0x00007f9ac01ddfc8>

INCHI for #<Metabolite:0x00007f9ac01ddfc8>

Structure for #<Metabolite:0x00007f9ac01ddfc8>

3D Structure for #<Metabolite:0x00007f9ac01ddfc8>