In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029ABN |
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Common Name | PG(O-14:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-tetradecyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(O-34:4); PG(O-14:0/20:4) |
Exact Mass | |
Formula | C40H73O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | MNIGSATZRFRSNQ-OUCWYUJFSA-N |
InChI | InChI=1S/C40H73O9P/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 /h7,9,13,15,18-19,21-22,38-39,41-42H,3-6,8,10-12,14,16-17,20,23-37H2,1-2H3,(H,44 ,45)/b9-7+,15-13+,19-18+,22-21+/t38-,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COC CCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |