In-Silico Structure Database (LMISSD)
Common Name
PGP(O-20:1(11Z)/37:0)
Systematic Name
1-(11Z-eicosenyl)-2-heptatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AW9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1136.872456
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
HNOGMVVHIYSBEO-SVGBXVRKSA-N
InChi (Click to copy)
InChI=1S/C63H126O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-63(65)75-62(60-74-77(69,70)73-58-61(64)57-72-76(66,67)68)59-71-56-54-52-50-48-46-44-42-40-22-20-18-16-14-12-10-8-6-4-2/h18,20,61-62,64H,3-17,19,21-60H2,1-2H3,(H,69,70)(H2,66,67,68)/b20-18-/t61-,62+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=C\CCCCCCCC