In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049AAG |
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Common Name | PS(10:0/13:2(9E,11E)(13Ke)) |
Systematic Name | 1-decanoyl-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(23:2(Ke)); PS(10:0/13:2(Ke)) |
Exact Mass | |
Formula | C29H50NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | DGGKWAYPHRLHEL-PFLFTMKSSA-N |
InChI | InChI=1S/C29H50NO11P/c1-2-3-4-5-10-13-16-19-27(32)38-22-25(23-39-42(36,37)40-24- 26(30)29(34)35)41-28(33)20-17-14-11-8-6-7-9-12-15-18-21-31/h9,12,15,18,21,25-26H ,2-8,10-11,13-14,16-17,19-20,22-24,30H2,1H3,(H,34,35)(H,36,37)/b12-9+,18-15+/t25 -,26+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O) (=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |