In-Silico Structure database (LMISSD)
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LM ID | LMGP20049AAJ |
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Common Name | PS(10:0/13:3(5Z,8E,11E)(10OH,13Ke)) |
Systematic Name | 1-decanoyl-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3- phosphoserine |
Synonyms | PS(23:3(OH,Ke)); PS(10:0/13:3(OH,Ke)) |
Exact Mass | |
Formula | C29H48NO12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | WDOKWPJVTASWAJ-CYSNIJOBSA-N |
InChI | InChI=1S/C29H48NO12P/c1-2-3-4-5-6-10-13-18-27(33)39-21-25(22-40-43(37,38)41-23-2 6(30)29(35)36)42-28(34)19-14-11-8-7-9-12-16-24(32)17-15-20-31/h7-8,12,15-17,20,2 4-26,32H,2-6,9-11,13-14,18-19,21-23,30H2,1H3,(H,35,36)(H,37,38)/b8-7-,16-12+,17- 15+/t24?,25-,26+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)COC(CCCCCC CCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |