In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AAT |
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Common Name | PG(10:0/18:2(9Z,15Z)(12OH[S])) |
Systematic Name | 1-decanoyl-2-(12S-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 | XGAQTALHQOKBGL-CSGSEWSMSA-N |
InChI | InChI=1S/C34H63O11P/c1-3-5-7-9-12-16-20-24-33(38)42-28-32(29-44-46(40,41)43-27-3 1(37)26-35)45-34(39)25-21-17-14-11-10-13-15-19-23-30(36)22-18-8-6-4-2/h6,8,15,19 ,30-32,35-37H,3-5,7,9-14,16-18,20-29H2,1-2H3,(H,40,41)/b8-6-,19-15-/t30-,31-,32+ /m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C[C@@H](O)CC/C=C\CC)=O)COC(CCCCCCCC C)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |