In-Silico Structure Database (LMISSD)
Common Name
PGP(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019ANE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
846.444821
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
YPQHVRHUGWPJEH-KQNMDFAOSA-N
InChi (Click to copy)
InChI=1S/C42H72O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,39-40,43H,3-4,6,8-9,14-15,18,21,23,25-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-/t39-,40+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O)(=O)O