In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AOW |
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Common Name | PG(15:1(9Z)/4:1(3E)) |
Systematic Name | 1-(9Z-pentadecenoyl)-2-3E-butenoyl-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(19:2); PG(15:1/4:1) |
Exact Mass | |
Formula | C25H45O10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | NWUIXKVJKYNXQQ-UGJRNGHWSA-N |
InChI | InChI=1S/C25H45O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-24(28)32-20-23(35-25(29) 16-4-2)21-34-36(30,31)33-19-22(27)18-26/h4,8-9,22-23,26-27H,2-3,5-7,10-21H2,1H3, (H,30,31)/b9-8-/t22-,23+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CC=C)=O)COC(CCCCCCC/C=C\CCCCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |