PGP161 – Phosphatidylglycerophosphate (dihexadec-9-enoyl, n-C16:1)

Name
WID PGP161 View in model
Name Phosphatidylglycerophosphate (dihexadec-9-enoyl, n-C16:1) View in model
Traditional name 1-(hexadec-9-enoyloxy)-3-({[2-hydroxy-3-(phosphonatooxy)propyl] phosphonato}oxy)propan-2-yl hexadec-9-enoate
IUPAC name 1-(hexadec-9-enoyloxy)-3-({[2-hydroxy-3-(phosphonatooxy)propyl] phosphonato}oxy)propan-2-yl hexadec-9-enoate
Cross references PubChem: 6624, KEGG: C03892, LIPIDMAPS: LMGP05010000, BiGG: pgp161
 
Classification
Type lipid_glycerophospholipid_phosphatidylglycerol_phosphate View in model
 
Structure
Empirical formula (pH 7.5) H69C38O13P2
SMILES (pH 7.5) CCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(O)COP([O-])([O-])=O)OC(=O)CCCCCCCC=CCCCCCC
Charge (pH 7.5) -3
Is hydrophobic True View in model
Molecular weight (Da) 795.89 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
774.13
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
logP 10.09
logD (pH 7.5) 4.59
 
Concentrations
Biomass composition (SP4 media, 
5% CO2, 37C; mmol gDCW‑1)
  • 0.0216999 [m]

View in model
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:07:06
Last updated 2012-10-01 15:12:28