MiMeDB: Showing metabocard for Sphinganine 1-phosphate (MMDBc0032959)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:28:56 UTC

Update Date

2024-04-30 19:56:29 UTC

Metabolite ID

MMDBc0032959

Metabolite Identification

Common Name

Sphinganine 1-phosphate

Description

Sphinganine 1-phosphate (dihydrosphingosine 1-phosphate) is an intermediate in sphingolipid metabolism pathway. Sphingolipids are essential components of the plasma membrane in all eukaryotic cells. S. cerevisiae cells make three complex sphingolipids: inositol-phosphoceramide (IPC), mannose-inositol-phosphoceramide (MIPC), and mannosyl-diinositol-phosphorylceramide (M(IP)2C). Sphingolipid long chain bases (LCBs) - dihydrosphingosine (DHS) and phytosphingosine (PHS) - are implicated as secondary messengers in vital signaling pathways. [Biocyc SPHINGOLIPID-SYN-PWY]

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0001383
     RDKit          3D
Sphinganine 1-phosphate
 65 64  0  0  0  0  0  0  0  0999 V2000
   -4.6848    1.3315    1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1873    1.2533    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0554    0.1391   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6935   -1.2549   -0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1499   -2.1067    0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -1.9703    1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5943   -2.0280    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -0.9405   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.0777   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776    0.0424   -2.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9809    1.3956   -1.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236    1.6394   -0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536    1.4804   -1.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5390    1.7408   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8798    1.6045   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332    0.2452   -1.4769 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4084    0.1542   -2.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502   -0.8144   -0.4108 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2304   -2.1132   -1.1312 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   -0.6823    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0180    0.4640    1.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    0.6411    2.5125 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.3927    1.3353    1.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7346   -0.8036    3.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6084    1.6900    3.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8617    2.3763    1.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3372    0.6943    2.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180    1.1725    1.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3385    1.4193   -0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8022    2.2054   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4818    0.4134   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0186    0.2667    0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7784   -1.7737   -0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3043   -1.4891   -1.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1494   -3.2209    0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9283   -2.2622    1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793   -2.8918    2.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8712   -1.1534    2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5051   -3.0544    0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -1.9950    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2309   -0.8942   -1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2918    0.0146    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555   -1.0884   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890   -2.0363   -1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657   -0.1058   -2.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591   -0.0109   -2.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610    2.1807   -2.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326    1.6451   -1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    0.9387    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0178    2.6581   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5365    0.4835   -1.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489    2.2552   -2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    2.7756    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    1.0424    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    2.3227   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    1.9903   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3949    0.0272   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655    0.3256   -3.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370   -0.8196    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8685   -1.9453   -1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914   -2.3561   -1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0401   -1.5783    1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1494   -0.6769    0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929   -1.4399    2.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    2.2193    4.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  6 38  1  0
  7 39  1  0
  7 40  1  0
  8 41  1  0
  8 42  1  0
  9 43  1  0
  9 44  1  0
 10 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 16 57  1  6
 17 58  1  0
 18 59  1  1
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 24 64  1  0
 25 65  1  0
M  END


  Mrv1652307072022142D          

 25 24  0  0  1  0            999 V2000
  -15.9714    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2569    5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5424    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8279    5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1135    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3990    5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6845    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9701    5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2556    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5411    5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8267    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1122    5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3977    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6832    5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9688    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2543    5.3322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2543    6.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398    4.9197    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5398    4.0947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8253    5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1109    4.9197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3964    5.3322    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8100    6.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6778    4.9176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9849    6.0459    0.0000 O   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  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0032959

> <DATABASE_NAME>
MIME

> <SMILES>
CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1

> <INCHI_KEY>
YHEDRJPUIRMZMP-ZWKOTPCHSA-N

> <FORMULA>
C18H40NO5P

> <MOLECULAR_WEIGHT>
381.4877

> <EXACT_MASS>
381.264409907

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
45.31644452987584

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
{[(2S,3R)-2-amino-3-hydroxyoctadecyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
3.80

> <JCHEM_LOGP>
3.6368676849972195

> <ALOGPS_LOGS>
-4.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.547963394199049

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5211388030394741

> <JCHEM_PKA_STRONGEST_BASIC>
9.75027100017317

> <JCHEM_POLAR_SURFACE_AREA>
113.01000000000002

> <JCHEM_REFRACTIVITY>
101.80229999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.69e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dihydrosphingosine 1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001383
     RDKit          3D
Sphinganine 1-phosphate
 65 64  0  0  0  0  0  0  0  0999 V2000
   -4.6848    1.3315    1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1873    1.2533    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0554    0.1391   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6935   -1.2549   -0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1499   -2.1067    0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -1.9703    1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5943   -2.0280    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -0.9405   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.0777   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776    0.0424   -2.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9809    1.3956   -1.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236    1.6394   -0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536    1.4804   -1.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5390    1.7408   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8798    1.6045   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332    0.2452   -1.4769 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4084    0.1542   -2.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502   -0.8144   -0.4108 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2304   -2.1132   -1.1312 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   -0.6823    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0180    0.4640    1.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    0.6411    2.5125 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.3927    1.3353    1.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7346   -0.8036    3.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6084    1.6900    3.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8617    2.3763    1.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3372    0.6943    2.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180    1.1725    1.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3385    1.4193   -0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8022    2.2054   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4818    0.4134   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0186    0.2667    0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7784   -1.7737   -0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3043   -1.4891   -1.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1494   -3.2209    0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9283   -2.2622    1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793   -2.8918    2.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8712   -1.1534    2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5051   -3.0544    0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -1.9950    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2309   -0.8942   -1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2918    0.0146    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555   -1.0884   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890   -2.0363   -1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657   -0.1058   -2.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591   -0.0109   -2.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610    2.1807   -2.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326    1.6451   -1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    0.9387    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0178    2.6581   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5365    0.4835   -1.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489    2.2552   -2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    2.7756    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    1.0424    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    2.3227   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    1.9903   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3949    0.0272   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655    0.3256   -3.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370   -0.8196    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8685   -1.9453   -1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914   -2.3561   -1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0401   -1.5783    1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1494   -0.6769    0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929   -1.4399    2.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    2.2193    4.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  6 38  1  0
  7 39  1  0
  7 40  1  0
  8 41  1  0
  8 42  1  0
  9 43  1  0
  9 44  1  0
 10 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 16 57  1  6
 17 58  1  0
 18 59  1  1
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 24 64  1  0
 25 65  1  0
M  END

HEADER    PROTEIN                                 07-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JUL-20         0                                  
HETATM    1  C   UNK     0     -29.813   9.183   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -28.480   9.953   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -27.146   9.183   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -25.812   9.953   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -24.479   9.183   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -23.145   9.953   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -21.811   9.183   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -20.478   9.953   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -19.144   9.183   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -17.810   9.953   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -16.477   9.183   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -15.143   9.953   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -13.809   9.183   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -12.475   9.953   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -11.142   9.183   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -9.808   9.953   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -9.808  11.493   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -8.474   9.183   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -8.474   7.643   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -7.141   9.953   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -5.807   9.183   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      -4.473   9.953   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      -5.245  11.286   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -3.132   9.180   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -3.705  11.286   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   22   20                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

COMPND    HMDB0001383
HETATM    1  C1  UNL     1      -4.685   1.332   1.527  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.187   1.253   0.119  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.055   0.139  -0.254  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.694  -1.255  -0.334  1.00  0.00           C  
HETATM    5  C5  UNL     1      -5.150  -2.107   0.692  1.00  0.00           C  
HETATM    6  C6  UNL     1      -3.846  -1.970   1.359  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.594  -2.028   0.574  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.430  -0.941  -0.411  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.108  -1.078  -1.185  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.978   0.042  -2.173  1.00  0.00           C  
HETATM   11  C11 UNL     1      -0.981   1.396  -1.549  1.00  0.00           C  
HETATM   12  C12 UNL     1       0.124   1.639  -0.556  1.00  0.00           C  
HETATM   13  C13 UNL     1       1.454   1.480  -1.266  1.00  0.00           C  
HETATM   14  C14 UNL     1       2.539   1.741  -0.237  1.00  0.00           C  
HETATM   15  C15 UNL     1       3.880   1.605  -0.894  1.00  0.00           C  
HETATM   16  C16 UNL     1       4.133   0.245  -1.477  1.00  0.00           C  
HETATM   17  O1  UNL     1       5.408   0.154  -2.066  1.00  0.00           O  
HETATM   18  C17 UNL     1       4.050  -0.814  -0.411  1.00  0.00           C  
HETATM   19  N1  UNL     1       4.230  -2.113  -1.131  1.00  0.00           N  
HETATM   20  C18 UNL     1       5.125  -0.682   0.622  1.00  0.00           C  
HETATM   21  O2  UNL     1       5.018   0.464   1.352  1.00  0.00           O  
HETATM   22  P1  UNL     1       6.203   0.641   2.513  1.00  0.00           P  
HETATM   23  O3  UNL     1       7.393   1.335   1.854  1.00  0.00           O  
HETATM   24  O4  UNL     1       6.735  -0.804   3.167  1.00  0.00           O  
HETATM   25  O5  UNL     1       5.608   1.690   3.716  1.00  0.00           O  
HETATM   26  H1  UNL     1      -4.862   2.376   1.955  1.00  0.00           H  
HETATM   27  H2  UNL     1      -5.337   0.694   2.185  1.00  0.00           H  
HETATM   28  H3  UNL     1      -3.618   1.172   1.675  1.00  0.00           H  
HETATM   29  H4  UNL     1      -4.339   1.419  -0.619  1.00  0.00           H  
HETATM   30  H5  UNL     1      -5.802   2.205  -0.031  1.00  0.00           H  
HETATM   31  H6  UNL     1      -6.482   0.413  -1.304  1.00  0.00           H  
HETATM   32  H7  UNL     1      -7.019   0.267   0.375  1.00  0.00           H  
HETATM   33  H8  UNL     1      -6.778  -1.774  -0.524  1.00  0.00           H  
HETATM   34  H9  UNL     1      -5.304  -1.489  -1.387  1.00  0.00           H  
HETATM   35  H10 UNL     1      -5.149  -3.221   0.317  1.00  0.00           H  
HETATM   36  H11 UNL     1      -5.928  -2.262   1.556  1.00  0.00           H  
HETATM   37  H12 UNL     1      -3.779  -2.892   2.120  1.00  0.00           H  
HETATM   38  H13 UNL     1      -3.871  -1.153   2.109  1.00  0.00           H  
HETATM   39  H14 UNL     1      -2.505  -3.054   0.084  1.00  0.00           H  
HETATM   40  H15 UNL     1      -1.731  -1.995   1.317  1.00  0.00           H  
HETATM   41  H16 UNL     1      -3.231  -0.894  -1.119  1.00  0.00           H  
HETATM   42  H17 UNL     1      -2.292   0.015   0.178  1.00  0.00           H  
HETATM   43  H18 UNL     1      -0.255  -1.088  -0.482  1.00  0.00           H  
HETATM   44  H19 UNL     1      -1.089  -2.036  -1.743  1.00  0.00           H  
HETATM   45  H20 UNL     1      -0.066  -0.106  -2.769  1.00  0.00           H  
HETATM   46  H21 UNL     1      -1.859  -0.011  -2.873  1.00  0.00           H  
HETATM   47  H22 UNL     1      -0.861   2.181  -2.343  1.00  0.00           H  
HETATM   48  H23 UNL     1      -1.933   1.645  -1.037  1.00  0.00           H  
HETATM   49  H24 UNL     1       0.018   0.939   0.286  1.00  0.00           H  
HETATM   50  H25 UNL     1       0.018   2.658  -0.132  1.00  0.00           H  
HETATM   51  H26 UNL     1       1.536   0.484  -1.704  1.00  0.00           H  
HETATM   52  H27 UNL     1       1.549   2.255  -2.052  1.00  0.00           H  
HETATM   53  H28 UNL     1       2.361   2.776   0.127  1.00  0.00           H  
HETATM   54  H29 UNL     1       2.445   1.042   0.601  1.00  0.00           H  
HETATM   55  H30 UNL     1       3.922   2.323  -1.790  1.00  0.00           H  
HETATM   56  H31 UNL     1       4.652   1.990  -0.230  1.00  0.00           H  
HETATM   57  H32 UNL     1       3.395   0.027  -2.302  1.00  0.00           H  
HETATM   58  H33 UNL     1       5.366   0.326  -3.044  1.00  0.00           H  
HETATM   59  H34 UNL     1       3.037  -0.820   0.032  1.00  0.00           H  
HETATM   60  H35 UNL     1       4.868  -1.945  -1.934  1.00  0.00           H  
HETATM   61  H36 UNL     1       3.291  -2.356  -1.503  1.00  0.00           H  
HETATM   62  H37 UNL     1       5.040  -1.578   1.289  1.00  0.00           H  
HETATM   63  H38 UNL     1       6.149  -0.677   0.152  1.00  0.00           H  
HETATM   64  H39 UNL     1       6.893  -1.440   2.441  1.00  0.00           H  
HETATM   65  H40 UNL     1       6.359   2.219   4.071  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3   29   30
CONECT    3    4   31   32
CONECT    4    5   33   34
CONECT    5    6   35   36
CONECT    6    7   37   38
CONECT    7    8   39   40
CONECT    8    9   41   42
CONECT    9   10   43   44
CONECT   10   11   45   46
CONECT   11   12   47   48
CONECT   12   13   49   50
CONECT   13   14   51   52
CONECT   14   15   53   54
CONECT   15   16   55   56
CONECT   16   17   18   57
CONECT   17   58
CONECT   18   19   20   59
CONECT   19   60   61
CONECT   20   21   62   63
CONECT   21   22
CONECT   22   23   23   24   25
CONECT   24   64
CONECT   25   65
END

HMDB0001383
     RDKit          3D
Sphinganine 1-phosphate
 65 64  0  0  0  0  0  0  0  0999 V2000
   -4.6848    1.3315    1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1873    1.2533    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0554    0.1391   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6935   -1.2549   -0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1499   -2.1067    0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -1.9703    1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5943   -2.0280    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -0.9405   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.0777   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776    0.0424   -2.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9809    1.3956   -1.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236    1.6394   -0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536    1.4804   -1.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5390    1.7408   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8798    1.6045   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332    0.2452   -1.4769 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4084    0.1542   -2.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502   -0.8144   -0.4108 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2304   -2.1132   -1.1312 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   -0.6823    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0180    0.4640    1.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    0.6411    2.5125 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.3927    1.3353    1.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7346   -0.8036    3.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6084    1.6900    3.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8617    2.3763    1.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3372    0.6943    2.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180    1.1725    1.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3385    1.4193   -0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8022    2.2054   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4818    0.4134   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0186    0.2667    0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7784   -1.7737   -0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3043   -1.4891   -1.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1494   -3.2209    0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9283   -2.2622    1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793   -2.8918    2.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8712   -1.1534    2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5051   -3.0544    0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -1.9950    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2309   -0.8942   -1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2918    0.0146    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555   -1.0884   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890   -2.0363   -1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657   -0.1058   -2.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591   -0.0109   -2.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610    2.1807   -2.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326    1.6451   -1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    0.9387    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0178    2.6581   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5365    0.4835   -1.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489    2.2552   -2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    2.7756    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    1.0424    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    2.3227   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    1.9903   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3949    0.0272   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655    0.3256   -3.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370   -0.8196    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8685   -1.9453   -1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914   -2.3561   -1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0401   -1.5783    1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1494   -0.6769    0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929   -1.4399    2.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    2.2193    4.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  6 38  1  0
  7 39  1  0
  7 40  1  0
  8 41  1  0
  8 42  1  0
  9 43  1  0
  9 44  1  0
 10 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 16 57  1  6
 17 58  1  0
 18 59  1  1
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 24 64  1  0
 25 65  1  0
M  END

Synonyms

Value	Source
(2S,3R)-2-Amino-3-hydroxyoctadecyl dihydrogen phosphate	ChEBI
DHS-1P	ChEBI
DHS1p	ChEBI
Dihydrosphingosine 1-phosphate	ChEBI
Dihydrosphingosine-1-phosphate	ChEBI
(2S,3R)-2-Amino-3-hydroxyoctadecyl dihydrogen phosphoric acid	Generator
Dihydrosphingosine 1-phosphoric acid	Generator
Dihydrosphingosine-1-phosphoric acid	Generator
Sphinganine 1-phosphoric acid	Generator
2-amino-3-Hydroxyoctadecyl dihydrogen phosphate	HMDB

Molecular Formula

C₁₈H₄₀NO₅P

Average Mass

381.4877

Monoisotopic Mass

381.264409907

IUPAC Name

{[(2S,3R)-2-amino-3-hydroxyoctadecyl]oxy}phosphonic acid

Traditional Name

dihydrosphingosine 1-phosphate

CAS Registry Number

19794-97-9

SMILES

CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O

InChI Identifier

InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1

InChI Key

YHEDRJPUIRMZMP-ZWKOTPCHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Sphingolipids

Sub Class

Phosphosphingolipids

Direct Parent

Phosphosphingolipids

Alternative Parents

Substituents

Sphingoid-1-phosphate or derivatives
Phosphoethanolamine
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
1,2-aminoalcohol
Secondary alcohol
Organic nitrogen compound
Hydrocarbon derivative
Primary amine
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Primary aliphatic amine
Amine
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

sphingoid 1-phosphate (CHEBI:16893 )
Sphingoid base 1-phosphates (C01120 )
Sphingoid base 1-phosphates (LMSP01050002 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.0057 g/L	ALOGPS
logP	3.8	ALOGPS
logP	3.64	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	1.52	ChemAxon
pKa (Strongest Basic)	9.75	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	113.01 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	101.8 m³·mol⁻¹	ChemAxon
Polarizability	45.32 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Endoplasmic reticulum
Extracellular
Membrane

Biospecimen Locations

Blood
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
MMDBp0191901	Lipid phosphate phosphohydrolase 2	Unknown	O43688	Homo sapiens
MMDBp0191907	Lipid phosphate phosphohydrolase 1	Unknown	O14494	Homo sapiens
MMDBp0191912	Lipid phosphate phosphohydrolase 3	Unknown	O14495	Homo sapiens
MMDBp0192100	Globoside alpha-1,3-N-acetylgalactosaminyltransferase 1	Unknown	Q8N5D6	Homo sapiens
MMDBp0192203	N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase	Enzyme	Q9Y2B2	Homo sapiens
MMDBp0192558	Phosphatidylinositol N-acetylglucosaminyltransferase subunit Q	Enzyme	Q9BRB3	Homo sapiens
MMDBp0192559	Phosphatidylinositol N-acetylglucosaminyltransferase subunit A	Enzyme	P37287	Homo sapiens
MMDBp0192560	Phosphatidylinositol N-acetylglucosaminyltransferase subunit H	Enzyme	Q14442	Homo sapiens
MMDBp0192561	Phosphatidylinositol N-acetylglucosaminyltransferase subunit P	Enzyme	P57054	Homo sapiens
MMDBp0192562	Phosphatidylinositol N-acetylglucosaminyltransferase subunit C	Enzyme	Q92535	Homo sapiens
MMDBp0192661	Sphingosine-1-phosphate lyase 1	Enzyme	O95470	Homo sapiens
MMDBp0192688	Sphingosine kinase 1	Unknown	Q9NYA1	Homo sapiens
MMDBp0192689	Sphingosine kinase 2	Unknown	Q9NRA0	Homo sapiens
MMDBp0193223	Ganglioside GM2 activator	Enzyme	P17900	Homo sapiens
MMDBp0193531	T-cell surface glycoprotein CD1e, membrane-associated	Enzyme	P15812	Homo sapiens
MMDBp0193636	Epididymal secretory protein E1	Enzyme	P61916	Homo sapiens
MMDBp0193673	Antigen-presenting glycoprotein CD1d	Enzyme	P15813	Homo sapiens
MMDBp0193742	GPI mannosyltransferase 1	Enzyme	Q9H3S5	Homo sapiens
MMDBp0193755	Phosphatidylinositol-glycan biosynthesis class W protein	Enzyme	Q7Z7B1	Homo sapiens
MMDBp0193805	Phosphatidylinositol-glycan biosynthesis class X protein	Enzyme	Q8TBF5	Homo sapiens
MMDBp0193806	GPI mannosyltransferase 4	Enzyme	Q86VD9	Homo sapiens
MMDBp0194033	Lactosylceramide 1,3-N-acetyl-beta-D-glucosaminyltransferase	Enzyme	Q9BYG0	Homo sapiens
MMDBp0194044	Beta-1,3-galactosyltransferase 5	Enzyme	Q9Y2C3	Homo sapiens
MMDBp0194119	GPI mannosyltransferase 3	Enzyme	Q92521	Homo sapiens
MMDBp0194120	Phosphatidylinositol-glycan biosynthesis class F protein	Enzyme	Q07326	Homo sapiens
MMDBp0194121	GPI ethanolamine phosphate transferase 2	Enzyme	Q5H8A4	Homo sapiens
MMDBp0194122	GPI ethanolamine phosphate transferase 1	Enzyme	O95427	Homo sapiens
MMDBp0194123	GPI ethanolamine phosphate transferase 3	Enzyme	Q8TEQ8	Homo sapiens
MMDBp0194124	GPI transamidase component PIG-S	Enzyme	Q96S52	Homo sapiens
MMDBp0194125	GPI transamidase component PIG-T	Enzyme	Q969N2	Homo sapiens
MMDBp0194126	Phosphatidylinositol glycan anchor biosynthesis class U protein	Enzyme	Q9H490	Homo sapiens
MMDBp0194127	GPI mannosyltransferase 2	Enzyme	Q9NUD9	Homo sapiens
MMDBp0194128	Phosphatidylinositol N-acetylglucosaminyltransferase subunit Y	Enzyme	Q3MUY2	Homo sapiens
MMDBp0194133	Pleckstrin homology domain-containing family A member 8	Unknown	Q96JA3	Homo sapiens
MMDBp0195885	Non-lysosomal glucosylceramidase	Enzyme	Q9HCG7	Homo sapiens
MMDBp0196045	Sphingosine kinase 1	Enzyme	Q96GK1	Homo sapiens
MMDBp0196528	GPI-anchor transamidase	Enzyme	Q92643	Homo sapiens
MMDBp0196556	Glycosylphosphatidylinositol anchor attachment 1 protein	Unknown	O43292	Homo sapiens
MMDBp0196557	Protein PLEKHA9	Unknown	O95397	Homo sapiens
MMDBp0196558	Glycolipid transfer protein domain-containing protein 2	Unknown	A6NH11	Homo sapiens
MMDBp0196559	Putative uncharacterized protein PLEKHA8	Unknown	B5MDU3	Homo sapiens
MMDBp0196560	T-cell surface glycoprotein CD1a	Unknown	P06126	Homo sapiens
MMDBp0196561	Glycolipid transfer protein domain-containing protein 1	Unknown	Q5TA50	Homo sapiens
MMDBp0196562	T-cell surface glycoprotein CD1c	Unknown	P29017	Homo sapiens
MMDBp0196563	Lipopolysaccharide-binding protein	Unknown	P18428	Homo sapiens
MMDBp0196564	Putative uncharacterized protein DKFZp434L0435	Unknown	Q9UFH6	Homo sapiens
MMDBp0196565	T-cell surface glycoprotein CD1b	Unknown	P29016	Homo sapiens
MMDBp0196566	Glycolipid transfer protein	Unknown	Q9NZD2	Homo sapiens
MMDBp0196637	Sphingosine-1-phosphate phosphatase 2	Enzyme	Q8IWX5	Homo sapiens
MMDBp0196967	Sphingosine-1-phosphate phosphatase 1	Unknown	Q9BX95

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0019866	Sphinganine	Sphinganine 1-phosphate	Unknown Protein	PathBank	31602464
MMDBr0019867	Sphinganine 1-phosphate	Sphinganine	Unknown Protein	PathBank	31602464
MMDBr0019868	Sphinganine 1-phosphate	Sphinganine	Unknown Protein	PathBank	31602464
MMDBr0019869	Sphinganine 1-phosphate	O-Phosphoethanolamine	Unknown Protein	PathBank	31602464

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	2	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Proteobacteria	3	Human

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Blood	Detected and Quantified	0.013	0.0005	uM	Adult (>18 years old)	Both	Normal	HMDB	17085324
Human Blood	Detected and Quantified	0.097	0.015	uM	Adult (>18 years old)	Both	Normal	HMDB	20671299

External Links

HMDB ID

HMDB0001383

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

3512

PubChem Compound

644260

PDB ID

Not Available

ChEBI ID

16893

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

De Ceuster P, Mannaerts GP, Van Veldhoven PP: Identification and subcellular localization of sphinganine-phosphatases in rat liver. Biochem J. 1995 Oct 1;311 ( Pt 1):139-46. doi: 10.1042/bj3110139. [PubMed:7575445 ]
Baumruker T, Bornancin F, Billich A: The role of sphingosine and ceramide kinases in inflammatory responses. Immunol Lett. 2005 Jan 31;96(2):175-85. doi: 10.1016/j.imlet.2004.09.001. [PubMed:15585321 ]
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 ]
Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]
Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for Sphinganine 1-phosphate (MMDBc0032959)

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