MiMeDB: Showing metabocard for PI(16:1(9Z)/0:0) (MMDBc0033306)

Microbial

Human

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:43:16 UTC

Update Date

2025-10-07 16:07:58 UTC

Metabolite ID

MMDBc0033306

Metabolite Identification

Common Name

PI(16:1(9Z)/0:0)

Description

PI(16:1(9Z)/0:0) is a phosphatidylinositol, a class of phospholipids that are important components of cell membranes and play key roles in cell signaling. There is limited literature available on this specific metabolite, indicating that further research may be needed to fully understand its biological significance and functions.

Structure

MOL SDF PDB SMILES InChI

PI(16:1(9Z)/0:0)
  Mrv1652309201800072D          

 39 39  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
  -11.3024    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0165    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7307    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4448    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1589    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8730    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5871    0.7694    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  2  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
M  END

PI(16:1(9Z)/0:0)
  Mrv1652309201800072D          

 39 39  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
  -11.3024    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0165    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7307    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4448    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1589    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8730    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5871    0.7694    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  2  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
M  END
> <DATABASE_ID>
MMDBc0033306

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H47O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h7-8,18,20-26,28-32H,2-6,9-17H2,1H3,(H,33,34)/b8-7-/t18-,20?,21-,22?,23?,24?,25-/m1/s1

> <INCHI_KEY>
VPFGUPHJCAHVJV-IESOKFLNSA-N

> <FORMULA>
C25H47O12P

> <MOLECULAR_WEIGHT>
570.6072

> <EXACT_MASS>
570.28051348

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
60.891746417928665

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-hydroxypropoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

> <ALOGPS_LOGP>
2.22

> <JCHEM_LOGP>
1.7110803310000007

> <ALOGPS_LOGS>
-3.27

> <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>
138.09300000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-hydroxypropoxy([(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(16:1(9Z)/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     -21.098   1.436   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -22.431   0.665   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -23.764   1.436   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -25.097   0.665   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -26.430   1.436   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -27.763   0.665   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -29.096   1.436   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                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   78    0
END

Synonyms

Not Available

Molecular Formula

C₂₅H₄₇O₁₂P

Average Mass

570.6072

Monoisotopic Mass

570.28051348

IUPAC Name

[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-hydroxypropoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

Traditional Name

(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-hydroxypropoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O

InChI Identifier

InChI=1S/C25H47O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h7-8,18,20-26,28-32H,2-6,9-17H2,1H3,(H,33,34)/b8-7-/t18-,20?,21-,22?,23?,24?,25-/m1/s1

InChI Key

VPFGUPHJCAHVJV-IESOKFLNSA-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 (LMGP06050009 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.3 g/L	ALOGPS
logP	2.22	ALOGPS
logP	1.71	ChemAxon
logS	-3.3	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	21	ChemAxon
Refractivity	138.09 m³·mol⁻¹	ChemAxon
Polarizability	60.89 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_2_7) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0odr-1588290000-8cfd85ede9197ffa7362	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-052r-2294010000-e6a23a294ef85bc2b6eb	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dj-5921000000-34706e12b3715b8bf54d	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0uy0-0091040000-347dadbf0065cc0d880c	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0zi9-3191000000-d2338732de8b14e207c9	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9030000000-b0225242238267a21a2f	2019-02-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	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	508.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-24	180.1
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	577.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	563.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	533.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	182.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	2454.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	572.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	289.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (retained)	2025-10-24	307.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	101.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	186.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	147.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	89.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	382.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	208.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	368.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1192.3
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	1066.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_1	CCCCCC/C=C\CCCCCCCC(=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	877.873
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_2	CCCCCC/C=C\CCCCCCCC(=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	1833.2
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_3	CCCCCC/C=C\CCCCCCCC(=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	2841.05
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_4	CCCCCC/C=C\CCCCCCCC(=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	2149.64
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_5	CCCCCC/C=C\CCCCCCCC(=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	2519.63
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_6	CCCCCC/C=C\CCCCCCCC(=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	1932.35
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_7	CCCCCC/C=C\CCCCCCCC(=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	1681.15
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_8	CCCCCC/C=C\CCCCCCCC(=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	2765.19
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_9	CCCCCC/C=C\CCCCCCCC(=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	1479.87
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_10	CCCCCC/C=C\CCCCCCCC(=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	2850.79
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_11	CCCCCC/C=C\CCCCCCCC(=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	1659.97
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_12	CCCCCC/C=C\CCCCCCCC(=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	2170.53
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_13	CCCCCC/C=C\CCCCCCCC(=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	2903.22
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_14	CCCCCC/C=C\CCCCCCCC(=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	981.805
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_15	CCCCCC/C=C\CCCCCCCC(=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	1501.09
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_16	CCCCCC/C=C\CCCCCCCC(=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	2354.86
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_17	CCCCCC/C=C\CCCCCCCC(=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	1805.52
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_18	CCCCCC/C=C\CCCCCCCC(=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	1758.15
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_19	CCCCCC/C=C\CCCCCCCC(=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	2654.88
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_20	CCCCCC/C=C\CCCCCCCC(=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	2013.88
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_21	CCCCCC/C=C\CCCCCCCC(=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	2563.37
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_22	CCCCCC/C=C\CCCCCCCC(=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	2818.57
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_23	CCCCCC/C=C\CCCCCCCC(=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	1821.63
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_24	CCCCCC/C=C\CCCCCCCC(=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	1326.01
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_25	CCCCCC/C=C\CCCCCCCC(=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	2128.3
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_26	CCCCCC/C=C\CCCCCCCC(=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	1487.94
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_27	CCCCCC/C=C\CCCCCCCC(=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	2226.1
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_28	CCCCCC/C=C\CCCCCCCC(=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	2005.89
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_29	CCCCCC/C=C\CCCCCCCC(=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	2689.21
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_30	CCCCCC/C=C\CCCCCCCC(=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	928.912
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_31	CCCCCC/C=C\CCCCCCCC(=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	1345.25
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_32	CCCCCC/C=C\CCCCCCCC(=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	1771.46
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_33	CCCCCC/C=C\CCCCCCCC(=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	1729.14
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_34	CCCCCC/C=C\CCCCCCCC(=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	1568.01
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_35	CCCCCC/C=C\CCCCCCCC(=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	2087.8
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_36	CCCCCC/C=C\CCCCCCCC(=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	1402.74
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_37	CCCCCC/C=C\CCCCCCCC(=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	2714.23
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_38	CCCCCC/C=C\CCCCCCCC(=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	1688.42
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_39	CCCCCC/C=C\CCCCCCCC(=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	2128.64
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_40	CCCCCC/C=C\CCCCCCCC(=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	2828.47
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_41	CCCCCC/C=C\CCCCCCCC(=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	2561.75
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_42	CCCCCC/C=C\CCCCCCCC(=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	1052.57
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_43	CCCCCC/C=C\CCCCCCCC(=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	2884.69
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_44	CCCCCC/C=C\CCCCCCCC(=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	2022.79
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_45	CCCCCC/C=C\CCCCCCCC(=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	1832.88
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_46	CCCCCC/C=C\CCCCCCCC(=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	1077.29
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_47	CCCCCC/C=C\CCCCCCCC(=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	1696.75
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_48	CCCCCC/C=C\CCCCCCCC(=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	2221.2
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_49	CCCCCC/C=C\CCCCCCCC(=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	2286.42
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_50	CCCCCC/C=C\CCCCCCCC(=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	2016.08
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_51	CCCCCC/C=C\CCCCCCCC(=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	1701.52
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_52	CCCCCC/C=C\CCCCCCCC(=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	3463.17
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_53	CCCCCC/C=C\CCCCCCCC(=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	2505.63
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_54	CCCCCC/C=C\CCCCCCCC(=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	976.255
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_55	CCCCCC/C=C\CCCCCCCC(=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	1819.07
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_56	CCCCCC/C=C\CCCCCCCC(=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	2892.46
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_57	CCCCCC/C=C\CCCCCCCC(=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	2107.68
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_58	CCCCCC/C=C\CCCCCCCC(=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	3036.34
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_59	CCCCCC/C=C\CCCCCCCC(=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	2086.23
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_60	CCCCCC/C=C\CCCCCCCC(=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	1277.79
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_61	CCCCCC/C=C\CCCCCCCC(=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	2987.88
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_62	CCCCCC/C=C\CCCCCCCC(=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	2149.37
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_63	CCCCCC/C=C\CCCCCCCC(=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	2940.05
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_64	CCCCCC/C=C\CCCCCCCC(=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	755.849
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_65	CCCCCC/C=C\CCCCCCCC(=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	1110.38
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_66	CCCCCC/C=C\CCCCCCCC(=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	1144.17
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_67	CCCCCC/C=C\CCCCCCCC(=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	1883.01
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_68	CCCCCC/C=C\CCCCCCCC(=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	109.633
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_69	CCCCCC/C=C\CCCCCCCC(=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	2179.12
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_70	CCCCCC/C=C\CCCCCCCC(=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	1637.14
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_71	CCCCCC/C=C\CCCCCCCC(=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	1693.74
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_72	CCCCCC/C=C\CCCCCCCC(=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	1823.34
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_73	CCCCCC/C=C\CCCCCCCC(=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	1856.83
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_74	CCCCCC/C=C\CCCCCCCC(=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	1250.91
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_75	CCCCCC/C=C\CCCCCCCC(=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	1139.64
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_76	CCCCCC/C=C\CCCCCCCC(=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	960.0
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_77	CCCCCC/C=C\CCCCCCCC(=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	1612.67
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_78	CCCCCC/C=C\CCCCCCCC(=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	127.982
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_79	CCCCCC/C=C\CCCCCCCC(=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	1949.44
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_80	CCCCCC/C=C\CCCCCCCC(=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	2747.82
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_81	CCCCCC/C=C\CCCCCCCC(=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	1326.61
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_82	CCCCCC/C=C\CCCCCCCC(=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	1184.65
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_83	CCCCCC/C=C\CCCCCCCC(=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	716.732
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_84	CCCCCC/C=C\CCCCCCCC(=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	1771.2
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_85	CCCCCC/C=C\CCCCCCCC(=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	771.819
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_86	CCCCCC/C=C\CCCCCCCC(=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	2763.04
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_87	CCCCCC/C=C\CCCCCCCC(=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	635.675
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_88	CCCCCC/C=C\CCCCCCCC(=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	2660.94
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_89	CCCCCC/C=C\CCCCCCCC(=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	1374.49
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_90	CCCCCC/C=C\CCCCCCCC(=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	2452.33
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_91	CCCCCC/C=C\CCCCCCCC(=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	1859.63
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_92	CCCCCC/C=C\CCCCCCCC(=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	1061.32
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_93	CCCCCC/C=C\CCCCCCCC(=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	1408.63
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_94	CCCCCC/C=C\CCCCCCCC(=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	1889.57
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_95	CCCCCC/C=C\CCCCCCCC(=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	704.108
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_96	CCCCCC/C=C\CCCCCCCC(=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	2040.97
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_97	CCCCCC/C=C\CCCCCCCC(=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	2070.81
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_98	CCCCCC/C=C\CCCCCCCC(=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	1502.0
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_1	CCCCCC/C=C\CCCCCCCC(=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	2362.35
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_2	CCCCCC/C=C\CCCCCCCC(=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	1726.07
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_3	CCCCCC/C=C\CCCCCCCC(=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	1349.93
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_4	CCCCCC/C=C\CCCCCCCC(=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	2608.44
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_5	CCCCCC/C=C\CCCCCCCC(=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	2365.76
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_6	CCCCCC/C=C\CCCCCCCC(=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	2631.65
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_7	CCCCCC/C=C\CCCCCCCC(=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	2477.49
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_8	CCCCCC/C=C\CCCCCCCC(=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	1628.91
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_9	CCCCCC/C=C\CCCCCCCC(=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	2468.2
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_10	CCCCCC/C=C\CCCCCCCC(=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	1949.81
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_11	CCCCCC/C=C\CCCCCCCC(=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	2289.09
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_12	CCCCCC/C=C\CCCCCCCC(=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	1644.13
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_13	CCCCCC/C=C\CCCCCCCC(=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	1862.3
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_14	CCCCCC/C=C\CCCCCCCC(=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	2906.45
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_15	CCCCCC/C=C\CCCCCCCC(=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	1946.02
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_16	CCCCCC/C=C\CCCCCCCC(=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	1850.74
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_17	CCCCCC/C=C\CCCCCCCC(=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	3537.18
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_18	CCCCCC/C=C\CCCCCCCC(=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	1888.14
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_19	CCCCCC/C=C\CCCCCCCC(=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	1261.89
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_20	CCCCCC/C=C\CCCCCCCC(=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	2944.47
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_21	CCCCCC/C=C\CCCCCCCC(=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	3793.56
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_22	CCCCCC/C=C\CCCCCCCC(=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	2574.34
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_23	CCCCCC/C=C\CCCCCCCC(=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	2050.17
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_24	CCCCCC/C=C\CCCCCCCC(=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	3394.52
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_25	CCCCCC/C=C\CCCCCCCC(=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	1278.04
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_26	CCCCCC/C=C\CCCCCCCC(=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	2199.71
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_27	CCCCCC/C=C\CCCCCCCC(=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	1866.18
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_28	CCCCCC/C=C\CCCCCCCC(=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	2919.41
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_29	CCCCCC/C=C\CCCCCCCC(=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	2775.17
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_30	CCCCCC/C=C\CCCCCCCC(=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	-52.4815
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_31	CCCCCC/C=C\CCCCCCCC(=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	1878.65
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_32	CCCCCC/C=C\CCCCCCCC(=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	2365.72
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_33	CCCCCC/C=C\CCCCCCCC(=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	3379.5
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_34	CCCCCC/C=C\CCCCCCCC(=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	1747.1
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_35	CCCCCC/C=C\CCCCCCCC(=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	1293.24
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_36	CCCCCC/C=C\CCCCCCCC(=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	1741.08
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_37	CCCCCC/C=C\CCCCCCCC(=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	2919.34
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_38	CCCCCC/C=C\CCCCCCCC(=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	2649.91
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_39	CCCCCC/C=C\CCCCCCCC(=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	1026.69
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_40	CCCCCC/C=C\CCCCCCCC(=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	2233.65
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_41	CCCCCC/C=C\CCCCCCCC(=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	1746.28
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_42	CCCCCC/C=C\CCCCCCCC(=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	1332.31
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_43	CCCCCC/C=C\CCCCCCCC(=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	2401.78
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_44	CCCCCC/C=C\CCCCCCCC(=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	3235.46
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_45	CCCCCC/C=C\CCCCCCCC(=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	2324.78
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_46	CCCCCC/C=C\CCCCCCCC(=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	3054.56
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_47	CCCCCC/C=C\CCCCCCCC(=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	3207.5
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_48	CCCCCC/C=C\CCCCCCCC(=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	14.1868
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_49	CCCCCC/C=C\CCCCCCCC(=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	3134.12
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_50	CCCCCC/C=C\CCCCCCCC(=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	1712.15
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_51	CCCCCC/C=C\CCCCCCCC(=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	1742.87
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_52	CCCCCC/C=C\CCCCCCCC(=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	1326.86
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_53	CCCCCC/C=C\CCCCCCCC(=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	3333.89
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_54	CCCCCC/C=C\CCCCCCCC(=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	1515.72
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_55	CCCCCC/C=C\CCCCCCCC(=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	1425.27
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_56	CCCCCC/C=C\CCCCCCCC(=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	1229.22
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_57	CCCCCC/C=C\CCCCCCCC(=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	2315.29
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_58	CCCCCC/C=C\CCCCCCCC(=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	2783.99
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_59	CCCCCC/C=C\CCCCCCCC(=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	1266.04
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_60	CCCCCC/C=C\CCCCCCCC(=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	1210.44
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_61	CCCCCC/C=C\CCCCCCCC(=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	2549.67
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_62	CCCCCC/C=C\CCCCCCCC(=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	2120.32
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_63	CCCCCC/C=C\CCCCCCCC(=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	2341.15
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_64	CCCCCC/C=C\CCCCCCCC(=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	2605.57
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_65	CCCCCC/C=C\CCCCCCCC(=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	2567.8
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_66	CCCCCC/C=C\CCCCCCCC(=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	2729.8
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_67	CCCCCC/C=C\CCCCCCCC(=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	2742.12
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_68	CCCCCC/C=C\CCCCCCCC(=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	779.53
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_69	CCCCCC/C=C\CCCCCCCC(=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	979.93
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_70	CCCCCC/C=C\CCCCCCCC(=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	2725.6
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_71	CCCCCC/C=C\CCCCCCCC(=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	1505.74
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_72	CCCCCC/C=C\CCCCCCCC(=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	2659.91
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_73	CCCCCC/C=C\CCCCCCCC(=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	2155.15
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_74	CCCCCC/C=C\CCCCCCCC(=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	1991.31
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_75	CCCCCC/C=C\CCCCCCCC(=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	2305.39
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_76	CCCCCC/C=C\CCCCCCCC(=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	3053.15
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_77	CCCCCC/C=C\CCCCCCCC(=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	644.344
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_78	CCCCCC/C=C\CCCCCCCC(=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	2671.22
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_79	CCCCCC/C=C\CCCCCCCC(=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	2187.75
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_80	CCCCCC/C=C\CCCCCCCC(=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	2392.46
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_81	CCCCCC/C=C\CCCCCCCC(=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	1707.54
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_82	CCCCCC/C=C\CCCCCCCC(=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	3182.56
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_83	CCCCCC/C=C\CCCCCCCC(=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	1252.88
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_84	CCCCCC/C=C\CCCCCCCC(=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	2378.54
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_85	CCCCCC/C=C\CCCCCCCC(=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	2537.27
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_86	CCCCCC/C=C\CCCCCCCC(=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	2128.6
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_87	CCCCCC/C=C\CCCCCCCC(=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	3526.76
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_88	CCCCCC/C=C\CCCCCCCC(=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	2985.26
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_89	CCCCCC/C=C\CCCCCCCC(=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	3049.08
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_90	CCCCCC/C=C\CCCCCCCC(=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	881.242
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_91	CCCCCC/C=C\CCCCCCCC(=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	2290.38
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_92	CCCCCC/C=C\CCCCCCCC(=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	2825.46
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_93	CCCCCC/C=C\CCCCCCCC(=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	2411.36
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_94	CCCCCC/C=C\CCCCCCCC(=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	2697.08
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_95	CCCCCC/C=C\CCCCCCCC(=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	2298.06
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_96	CCCCCC/C=C\CCCCCCCC(=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	2981.55
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_97	CCCCCC/C=C\CCCCCCCC(=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	3439.26
Gas Chromatography	PI(16:1(9Z)/0:0)_TMS_98	CCCCCC/C=C\CCCCCCCC(=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	2327.63

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

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

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank	Species
phosphatidylinositol (PI(16:1(9Z)/16:1(11Z))) Biosynthesis
phosphatidylinositol (PI(16:1(9Z)/16:1(9Z))) Biosynthesis
phosphatidylinositol (PI(16:1(9Z)/18:0)) Biosynthesis
phosphatidylinositol (PI(16:1(9Z)/18:1(11Z))) Biosynthesis
phosphatidylinositol (PI(16:1(9Z)/18:1(9Z))) 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

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

Ejsing CS, Sampaio JL, Surendranath V, Duchoslav E, Ekroos K, Klemm RW, Simons K, Shevchenko A: Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry. Proc Natl Acad Sci U S A. 2009 Feb 17;106(7):2136-41. doi: 10.1073/pnas.0811700106. Epub 2009 Jan 27. [PubMed:19174513 ]

Showing metabocard for PI(16:1(9Z)/0:0) (MMDBc0033306)

MOL for #<Metabolite:0x00007f9aa746b100>

3D MOL for #<Metabolite:0x00007f9aa746b100>

3D SDF for #<Metabolite:0x00007f9aa746b100>

3D-SDF for #<Metabolite:0x00007f9aa746b100>

PDB for #<Metabolite:0x00007f9aa746b100>

3D PDB for #<Metabolite:0x00007f9aa746b100>

SMILES for #<Metabolite:0x00007f9aa746b100>

INCHI for #<Metabolite:0x00007f9aa746b100>

Structure for #<Metabolite:0x00007f9aa746b100>

3D Structure for #<Metabolite:0x00007f9aa746b100>