PG181 – Phosphatidylglycerol (dioctadec-11-enoyl, n-C18:1)

Name
WID PG181 View in model
Name Phosphatidylglycerol (dioctadec-11-enoyl, n-C18:1) View in model
Traditional name 1-{[(2,3-dihydroxypropyl) phosphonato]oxy}-3-(octadec-11-enoyloxy)propan-2-yl octadec-11-enoate
IUPAC name 1-{[(2,3-dihydroxypropyl) phosphonato]oxy}-3-(octadec-11-enoyloxy)propan-2-yl octadec-11-enoate
Cross references PubChem: 3637, KEGG: C00344, LIPIDMAPS: LMGP04010000, BiGG: pg181
 
Classification
Type lipid_glycerophospholipid_phosphatidylglycerol View in model
 
Structure
Empirical formula (pH 7.5) H78C42O10P1
SMILES (pH 7.5) CCCCCCC=CCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCCCCC=CCCCCCC
Charge (pH 7.5) -1
Is hydrophobic True View in model
Molecular weight (Da) 774.03 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
801.63
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
logP 11.99
logD (pH 7.5) 9.62
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:07:06
Last updated 2012-10-01 15:12:28