In-Silico Structure database (LMISSD)

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LM IDLMGP20049AAI
Common NamePS(10:0/13:2(9E,11E)(8OH,13Ke))
Systematic Name1-decanoyl-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3-
phosphoserine
SynonymsPS(23:2(OH,Ke)); PS(10:0/13:2(OH,Ke))
Exact Mass
635.3071 (neutral)    Calculate m/z:
FormulaC29H50NO12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyXBAAIKXMMAMIRX-SNXPWUKBSA-N
InChIInChI=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
SMILESC(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-     
StatusActive (generated by computational methods)