In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AAN |
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Common Name | PG(10:0/18:2(8E,12Z)(10OH[S])) |
Systematic Name | 1-decanoyl-2-(10S-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 | NQIFNCVKLBOCNN-CDPAWTEPSA-N |
InChI | InChI=1S/C34H63O11P/c1-3-5-7-9-11-16-20-24-33(38)42-28-32(29-44-46(40,41)43-27-3 1(37)26-35)45-34(39)25-21-17-13-12-15-19-23-30(36)22-18-14-10-8-6-4-2/h14,18-19, 23,30-32,35-37H,3-13,15-17,20-22,24-29H2,1-2H3,(H,40,41)/b18-14-,23-19+/t30-,31- ,32+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCC/C=C/[C@@H](O)C/C=C\CCCCC)=O)COC(CCCCCCCC C)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |