In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/26:2(5E,9Z))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ANO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
948.622056
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
ISMOMSGZJNZQRG-MVHQFICTSA-N
InChi (Click to copy)
InChI=1S/C50H94O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-50(52)62-49(47-61-64(56,57)60-45-48(51)44-59-63(53,54)55)46-58-43-41-39-37-35-33-31-29-20-18-16-14-12-10-8-6-4-2/h18,20,27-28,34,36,41,43,48-49,51H,3-17,19,21-26,29-33,35,37-40,42,44-47H2,1-2H3,(H,56,57)(H2,53,54,55)/b20-18-,28-27-,36-34+,43-41-/t48-,49+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC