PA161 – 1,2-dihexadec-9-enoyl-sn-glycerol 3-phosphate

Name
WID PA161 View in model
Name 1,2-dihexadec-9-enoyl-sn-glycerol 3-phosphate View in model
Traditional name 1-(hexadec-9-enoyloxy)-3-(phosphonatooxy)propan-2-yl hexadec-9-enoate
IUPAC name 1-(hexadec-9-enoyloxy)-3-(phosphonatooxy)propan-2-yl hexadec-9-enoate
Cross references ChEBI: 16337, PubChem: 3706, KEGG: C00416, LIPIDMAPS: LMGP10010000, BiGG: pa161
 
Classification
Type lipid_glycerophospholipid_phosphatidyl_inositol View in model
 
Structure
Empirical formula (pH 7.5) H63C35O8P1
SMILES (pH 7.5) CCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)OC(=O)CCCCCCCC=CCCCCCC
Charge (pH 7.5) -2
Is hydrophobic True View in model
Molecular weight (Da) 642.84 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
662.79
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 0.0
logP 11.16
logD (pH 7.5) 7.88
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:07:05
Last updated 2012-10-01 15:12:27