In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/12:1(10E)(9OH,12OH,12Ke))
Systematic Name
1-pentadecanoyl-2-(9-hydroxy-11-carboxy-10E-undecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ALR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
709.380232
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
VTYSJPWNAFAQKH-NKBNUAEWSA-N
InChi (Click to copy)
InChI=1S/C33H60NO13P/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(38)44-24-28(25-45-48(42,43)46-26-29(34)33(40)41)47-32(39)21-18-15-12-13-16-19-27(35)22-23-30(36)37/h22-23,27-29,35H,2-21,24-26,34H2,1H3,(H,36,37)(H,40,41)(H,42,43)/b23-22+/t27?,28-,29+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O