CDPDG180 – CDP-1,2-dioctadecanoylglycerol

Name
WID CDPDG180 View in model
Name CDP-1,2-dioctadecanoylglycerol View in model
Traditional name [2,3-bis(octadecanoyloxy)propyl] ({[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC name [2,3-bis(octadecanoyloxy)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: cdpdodecg, LIPIDMAPS: LMGP13010000
 
Classification
Type lipid_glycerophospholipid_CDP-diacyl_glycerol View in model
 
Structure
Empirical formula (pH 7.5) H87C48N3O15P2
SMILES (pH 7.5) CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCCC
Charge (pH 7.5) -2
Is hydrophobic True View in model
Molecular weight (Da) 1008.16 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
972.42
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
pI 1.28
logP 11.06
logD (pH 7.5) 6.59
 
Function
Reaction participant CDP-diacylglycerol synthetase (n-C18:0)
CTP[c] + H[c] + PA180[m] ⇔ CDPDG180[m] + PPI[c]
View in model
 
Metadata
Created 2012-10-01 15:06:51
Last updated 2012-10-01 15:11:57