In-Silico Structure Database (LMISSD)
Common Name
PGP(18:1(17Z)/21:0)
Systematic Name
1-(13Z-octadecenoyl)-2-heneicosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019BG7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
898.570021
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
VOASIQKRJIGRLL-WZYYJWNZSA-N
InChi (Click to copy)
InChI=1S/C45H88O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-45(48)58-43(41-57-60(52,53)56-39-42(46)38-55-59(49,50)51)40-54-44(47)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h4,42-43,46H,2-3,5-41H2,1H3,(H,52,53)(H2,49,50,51)/t42-,43+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCC=C)=O)(=O)O