In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049AAQ |
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Common Name | PS(10:0/18:2(9Z,12Z)(8OH[R])) |
Systematic Name | 1-decanoyl-2-(8R-HODE)-sn-glycero-3-phosphoserine |
Synonyms | PS(28:2(OH)); PS(10:0/18:2(OH)) |
Exact Mass | |
Formula | C34H62NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | QWERRLUEQLJRKZ-HYLSVOOHSA-N |
InChI | InChI=1S/C34H62NO11P/c1-3-5-7-9-11-13-14-18-22-29(36)23-19-16-17-21-25-33(38)46- 30(27-44-47(41,42)45-28-31(35)34(39)40)26-43-32(37)24-20-15-12-10-8-6-4-2/h11,13 ,18,22,29-31,36H,3-10,12,14-17,19-21,23-28,35H2,1-2H3,(H,39,40)(H,41,42)/b13-11- ,22-18-/t29-,30+,31-/m0/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCC[C@@H](O)/C=C\C/C=C\CCCCC)=O)COC(C CCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |