In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04019AAN |
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Common Name | PG(10:0/17:2(9Z,12Z)) |
Systematic Name | 1-decanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(27:2); PG(10:0_17:2) |
Exact Mass | |
Formula | C33H61O10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | Diacylglycerophosphoglycerols [GP0401] |
PubChem Compound ID (CID) | - |
InChIKey | QZJFYNLFTOPFNI-FHYNNLLLSA-N |
InChI | InChI=1S/C33H61O10P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-33(37)43-31(29-4 2-44(38,39)41-27-30(35)26-34)28-40-32(36)24-22-20-18-10-8-6-4-2/h9,11,13-14,30-3 1,34-35H,3-8,10,12,15-29H2,1-2H3,(H,38,39)/b11-9-,14-13-/t30-,31+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COC(CCCCCCCCC)=O)(=O) O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |