In-Silico Structure Database (LMISSD)
Common Name
PS(10:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))
Systematic Name
1-decanoyl-2-(12S-HETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AA2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
715.406052
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
YHYKGAYSIHTHKI-SIQPGJAQSA-N
InChi (Click to copy)
InChI=1S/C36H62NO11P/c1-3-5-7-9-13-18-22-26-34(39)45-28-32(29-46-49(43,44)47-30-33(37)36(41)42)48-35(40)27-23-19-15-12-11-14-17-21-25-31(38)24-20-16-10-8-6-4-2/h12,14-17,20-21,25,31-33,38H,3-11,13,18-19,22-24,26-30,37H2,1-2H3,(H,41,42)(H,43,44)/b15-12-,17-14-,20-16-,25-21+/t31-,32+,33-/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O