In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049AAI |
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Common Name | PS(10:0/13:2(9E,11E)(8OH,13Ke)) |
Systematic Name | 1-decanoyl-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3- phosphoserine |
Synonyms | PS(23:2(OH,Ke)); PS(10:0/13:2(OH,Ke)) |
Exact Mass | |
Formula | C29H50NO12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | XBAAIKXMMAMIRX-SNXPWUKBSA-N |
InChI | InChI=1S/C29H50NO12P/c1-2-3-4-5-6-7-13-18-27(33)39-21-25(22-40-43(37,38)41-23-26 (30)29(35)36)42-28(34)19-14-9-8-11-16-24(32)17-12-10-15-20-31/h10,12,15,17,20,24 -26,32H,2-9,11,13-14,16,18-19,21-23,30H2,1H3,(H,35,36)(H,37,38)/b15-10+,17-12+/t 24?,25-,26+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC(O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC) =O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |