In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029ABG |
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Common Name | PG(O-14:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-tetradecyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(O-34:3); PG(O-14:0/20:3) |
Exact Mass | |
Formula | C40H75O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | RCRIRHCHUYNKER-OBABOVCQSA-N |
InChI | InChI=1S/C40H75O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-40(43)49 -39(37-48-50(44,45)47-35-38(42)34-41)36-46-33-31-29-27-25-23-16-14-12-10-8-6-4-2 /h17-18,20-21,24,26,38-39,41-42H,3-16,19,22-23,25,27-37H2,1-2H3,(H,44,45)/b18-17 -,21-20-,26-24-/t38-,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCC CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |