In-Silico Structure Database (LMISSD)
Common Name
PGP(17:1(9Z)/27:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-heptacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019A3W
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.648271
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
PIIMGTQPYYDPSJ-ZKVLCFRPSA-N
InChi (Click to copy)
InChI=1S/C50H98O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-50(53)63-48(46-62-65(57,58)61-44-47(51)43-60-64(54,55)56)45-59-49(52)41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h16,18,47-48,51H,3-15,17,19-46H2,1-2H3,(H,57,58)(H2,54,55,56)/b18-16-/t47-,48+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O)(=O)O