In-Silico Structure Database (LMISSD)
Common Name
PS(28:0/18:1(11E))
Systematic Name
1-octacosanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019EUE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
929.708487
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
SMBIQLKRTFXLFZ-FRDMOAHOSA-N
InChi (Click to copy)
InChI=1S/C52H100NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-50(54)60-45-48(46-61-64(58,59)62-47-49(53)52(56)57)63-51(55)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h14,16,48-49H,3-13,15,17-47,53H2,1-2H3,(H,56,57)(H,58,59)/b16-14+/t48-,49+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O