In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029AJ8 |
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Common Name | PG(O-16:1(9Z)/18:2(9E,11E)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(O-34:3); PG(O-16:1/18:2) |
Exact Mass | |
Formula | C40H75O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | XYGFWPLQBUDCEX-ACSNJPSOSA-N |
InChI | InChI=1S/C40H75O9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-40(43)49-39(37 -48-50(44,45)47-35-38(42)34-41)36-46-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2 /h13-17,19,38-39,41-42H,3-12,18,20-37H2,1-2H3,(H,44,45)/b15-13+,16-14-,19-17+/t3 8-,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCC/C =C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |