In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:1(9Z)/27:0)
Systematic Name
1-(9Z-octadecenyl)-2-heptacosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029ASD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
901.713572
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
LFTSKMWGKMYPFH-GNMLRBFGSA-N
InChi (Click to copy)
InChI=1S/C51H100NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-50(53)61-48(46-59-62(56,57)60-47-49(52)51(54)55)45-58-44-42-40-38-36-34-32-30-20-18-16-14-12-10-8-6-4-2/h18,20,48-49H,3-17,19,21-47,52H2,1-2H3,(H,54,55)(H,56,57)/b20-18-/t48-,49+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC)(=O)O