In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029ABC |
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Common Name | PG(O-14:0/20:1(13E)) |
Systematic Name | 1-tetradecyl-2-(13E-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(O-34:1); PG(O-14:0/20:1) |
Exact Mass | |
Formula | C40H79O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | RSOHUOATRGLEDK-ACOKGBTCSA-N |
InChI | InChI=1S/C40H79O9P/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 /h13,15,38-39,41-42H,3-12,14,16-37H2,1-2H3,(H,44,45)/b15-13+/t38-,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC/C=C/CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |