In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029ARB |
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Common Name | PG(O-18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phospho- (1'-sn-glycerol) |
Synonyms | PG(O-36:5); PG(O-18:1/18:4) |
Exact Mass | |
Formula | C42H75O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | BGLOICKDRFVSTQ-HQWDTSRCSA-N |
InChI | InChI=1S/C42H75O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-38-41(39 -50-52(46,47)49-37-40(44)36-43)51-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8 -6-4-2/h6,8,12,14,17-20,24,26,40-41,43-44H,3-5,7,9-11,13,15-16,21-23,25,27-39H2, 1-2H3,(H,46,47)/b8-6-,14-12-,19-17-,20-18-,26-24-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCC CCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |