CDPDG161 – CDP-1,2-dihexadec-9-enoylglycerol

Name
WID CDPDG161 View in model
Name CDP-1,2-dihexadec-9-enoylglycerol View in model
Traditional name [2,3-bis(hexadec-9-enoyloxy)propyl] ({[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC name [2,3-bis(hexadec-9-enoyloxy)propyl] ({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
Cross references PubChem: 3567, KEGG: C00269, BiGG: cdpdhdec9eg, LIPIDMAPS: LMGP13010000
 
Classification
Type lipid_glycerophospholipid_CDP-diacyl_glycerol View in model
 
Structure
Empirical formula (pH 7.5) H75C44N3O15P2
SMILES (pH 7.5) CCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCC=CCCCCCC
Charge (pH 7.5) -2
Is hydrophobic True View in model
Molecular weight (Da) 948.02 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
889.64
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
pI 1.28
logP 8.55
logD (pH 7.5) 4.09
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:06:51
Last updated 2012-10-01 15:11:57