In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029AA4 |
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Common Name | PG(O-14:0/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-tetradecyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(O-32:3); PG(O-14:0/18:3) |
Exact Mass | |
Formula | C38H71O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | KWHJBSQVRAVLDW-DSVPEOJSSA-N |
InChI | InChI=1S/C38H71O9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-38(41)47-37(35 -46-48(42,43)45-33-36(40)32-39)34-44-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,1 3,17-18,20,22,36-37,39-40H,3-10,12,14-16,19,21,23-35H2,1-2H3,(H,42,43)/b13-11-,1 8-17-,22-20-/t36-,37+/m0/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCC CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |