In-Silico Structure Database (LMISSD)
Common Name
PS(11:0/18:2(10E,12Z)(9OH[R]))
Systematic Name
1-undecanoyl-2-(9R-HODE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ACG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
705.421702
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
VUXHZEWWPIMVLF-QMGKNBRXSA-N
InChi (Click to copy)
InChI=1S/C35H64NO11P/c1-3-5-7-9-11-13-17-21-25-33(38)44-27-31(28-45-48(42,43)46-29-32(36)35(40)41)47-34(39)26-22-18-14-16-20-24-30(37)23-19-15-12-10-8-6-4-2/h12,15,19,23,30-32,37H,3-11,13-14,16-18,20-22,24-29,36H2,1-2H3,(H,40,41)(H,42,43)/b15-12-,23-19+/t30-,31+,32-/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC[C@@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O)(=O)O