In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049AAO |
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Common Name | PS(10:0/18:2(9Z,11E)(13OH[R])) |
Systematic Name | 1-decanoyl-2-(13R-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 | YWIOWXDPSOIADH-OCMJSZEESA-N |
InChI | InChI=1S/C34H62NO11P/c1-3-5-7-8-12-16-20-24-32(37)43-26-30(27-44-47(41,42)45-28- 31(35)34(39)40)46-33(38)25-21-17-14-11-9-10-13-15-19-23-29(36)22-18-6-4-2/h13,15 ,19,23,29-31,36H,3-12,14,16-18,20-22,24-28,35H2,1-2H3,(H,39,40)(H,41,42)/b15-13- ,23-19+/t29-,30-,31+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C=C\[C@H](O)CCCCC)=O)COC(CCC CCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |