In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AAR |
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Common Name | PG(10:0/18:2(9Z,12Z)(8OH[S])) |
Systematic Name | 1-decanoyl-2-(8S-HODE)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(28:2(OH)); PG(10:0/18:2(OH)) |
Exact Mass | |
Formula | C34H63O11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | DAILJOMWTBNQRH-JTONFBCTSA-N |
InChI | InChI=1S/C34H63O11P/c1-3-5-7-9-11-13-14-18-22-30(36)23-19-16-17-21-25-34(39)45-3 2(29-44-46(40,41)43-27-31(37)26-35)28-42-33(38)24-20-15-12-10-8-6-4-2/h11,13,18, 22,30-32,35-37H,3-10,12,14-17,19-21,23-29H2,1-2H3,(H,40,41)/b13-11-,22-18-/t30-, 31+,32-/m1/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCC[C@H](O)/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC )=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |