CDPDG140 – CDP-1,2-ditetradecanoylglycerol

Name
WID CDPDG140 View in model
Name CDP-1,2-ditetradecanoylglycerol View in model
Traditional name [2,3-bis(tetradecanoyloxy)propyl] ({[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC name [2,3-bis(tetradecanoyloxy)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: cdpdtdecg, LIPIDMAPS: LMGP13010000
 
Classification
Type lipid_glycerophospholipid_CDP-diacyl_glycerol View in model
 
Structure
Empirical formula (pH 7.5) H71C40N3O15P2
SMILES (pH 7.5) CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCC
Charge (pH 7.5) -2
Is hydrophobic True View in model
Molecular weight (Da) 895.95 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
836.10
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
pI 1.28
logP 7.50
logD (pH 7.5) 3.04
 
Function
Reaction participant CDP-diacylglycerol synthetase (n-C14:0)
CTP[c] + H[c] + PA140[m] ⇔ CDPDG140[m] + PPI[c]
View in model
 
Metadata
Created 2012-10-01 15:06:51
Last updated 2012-10-01 15:11:56