In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04039AM0 |
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Common Name | PG(P-18:1(9Z)/20:3(8Z,11Z,14Z)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho- (1'-sn-glycerol) |
Synonyms | PG(P-38:4); PG(P-18:1/20:3) |
Exact Mass | |
Formula | C44H79O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403] |
PubChem Compound ID (CID) | - |
InChIKey | ZCGUHZVPEFUUJO-QAGPKVOQSA-N |
InChI | InChI=1S/C44H79O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(47)53 -43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-23-20-18-16-14-1 2-10-8-6-4-2/h11,13,17-20,22,24,35,37,42-43,45-46H,3-10,12,14-16,21,23,25-34,36, 38-41H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,24-22-,37-35-/t42-,43+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C \CCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |