CDPDG181 – CDP-1,2-dioctadec-11-enoylglycerol

Name
WID	CDPDG181
Name	CDP-1,2-dioctadec-11-enoylglycerol
Traditional name	[2,3-bis(octadec-11-enoyloxy)propyl] ({[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC name	[2,3-bis(octadec-11-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: cdpdodec11eg, LIPIDMAPS: LMGP13010000

Classification
Type	lipid_glycerophospholipid_CDP-diacyl_glycerol

Structure
Empirical formula (pH 7.5)	H₈₃C₄₈N₃O₁₅P₂
SMILES (pH 7.5)	CCCCCCC=CCCCCCCCCCC(=O)OCC(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCC=CCCCCCC
Charge (pH 7.5)	-2
Is hydrophobic	True
Molecular weight (Da)	1004.13
van der Waals volume (pH 7.5; Å³ molecule^‑1)	957.89
Δ_fG^'o (pH 7.5, 25C, I = 0; kJ mol^‑1)	0.0
pI	1.28
logP	10.33
logD (pH 7.5)	5.87

Function
Reaction participant	Phosphatidylglycerol synthase (n-C18:1) CDPDG181[m] + GL3P[c] ⇔ CMP[c] + (2) H[c] + PGP181[m] CDP-diacylglycerol synthetase (n-C18:1) CTP[c] + H[c] + PA181[m] ⇔ CDPDG181[m] + PPI[c]

Metadata
Created	2012-10-01 15:06:51
Last updated	2012-10-01 15:11:57