In-Silico Structure Database (LMISSD)
Common Name
PGP(14:1(9Z)/29:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-nonacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019ANT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
954.632621
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
PKBGDRZZBAGAAS-LJBOZVPUSA-N
InChi (Click to copy)
InChI=1S/C49H96O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-49(52)62-47(45-61-64(56,57)60-43-46(50)42-59-63(53,54)55)44-58-48(51)40-38-36-34-32-30-14-12-10-8-6-4-2/h10,12,46-47,50H,3-9,11,13-45H2,1-2H3,(H,56,57)(H2,53,54,55)/b12-10-/t46-,47+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(=O)O