In-Silico Structure Database (LMISSD)
Common Name
PS(31:0/18:2(9Z,12Z))
Systematic Name
1-hentriacontanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019E1P
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
969.739787
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
DYCCVYSWXAHLAO-UHGZFPAWSA-N
InChi (Click to copy)
InChI=1S/C55H104NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-53(57)63-48-51(49-64-67(61,62)65-50-52(56)55(59)60)66-54(58)47-45-43-41-39-37-35-32-18-16-14-12-10-8-6-4-2/h12,14,18,32,51-52H,3-11,13,15-17,19-31,33-50,56H2,1-2H3,(H,59,60)(H,61,62)/b14-12-,32-18-/t51-,52+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O