In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:0/18:2(2E,4E))
Systematic Name
1-octadecyl-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029AMH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
773.557072
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
PPEDFHXFIXTSLS-ZCVCIQBVSA-N
InChi (Click to copy)
InChI=1S/C42H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-36-39(37-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30,32,34,39-40H,3-27,29,31,33,35-38,43H2,1-2H3,(H,45,46)(H,47,48)/b30-28+,34-32+/t39-,40+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCC)(=O)O