In-Silico Structure Database (LMISSD)
Common Name
PS(10:0/18:2(9Z,11E)(13OH[R]))
Systematic Name
1-decanoyl-2-(13R-HODE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AAO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
691.406052
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
YWIOWXDPSOIADH-OCMJSZEESA-N
InChi (Click to copy)
InChI=1S/C34H62NO11P/c1-3-5-7-8-12-16-20-24-32(37)43-26-30(27-44-47(41,42)45-28-31(35)34(39)40)46-33(38)25-21-17-14-11-9-10-13-15-19-23-29(36)22-18-6-4-2/h13,15,19,23,29-31,36H,3-12,14,16-18,20-22,24-28,35H2,1-2H3,(H,39,40)(H,41,42)/b15-13-,23-19+/t29-,30-,31+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C=C\[C@H](O)CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O