In-Silico Structure Database (LMISSD)
Common Name
PS(O-20:0/18:2(9E,11E))
Systematic Name
1-eicosyl-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029ATG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
801.588372
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
IHOOJQHISYTPAS-UGXZLFIQSA-N
InChi (Click to copy)
InChI=1S/C44H84NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-51-38-41(39-52-55(49,50)53-40-42(45)44(47)48)54-43(46)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h14,16,18,22,41-42H,3-13,15,17,19-21,23-40,45H2,1-2H3,(H,47,48)(H,49,50)/b16-14+,22-18+/t41-,42+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)COCCCCCCCCCCCCCCCCCCCC)(=O)O