eicosatetranoic acid   Click here for help

GtoPdb Ligand ID: 2669

Abbreviated name: ETYA
PDB Ligand
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.3
Molecular weight 296.18
XLogP 5.57
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
Isomeric SMILES CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChI Key MGLDCXPLYOWQRP-UHFFFAOYSA-N
References
1. Keller H, Devchand PR, Perroud M, Wahli W. (1997)
PPAR alpha structure-function relationships derived from species-specific differences in responsiveness to hypolipidemic agents.
Biol Chem, 378 (7): 651-5. [PMID:9278144]
2. Keller H, Dreyer C, Medin J, Mahfoudi A, Ozato K, Wahli W. (1993)
Fatty acids and retinoids control lipid metabolism through activation of peroxisome proliferator-activated receptor-retinoid X receptor heterodimers.
Proc Natl Acad Sci USA, 90 (6): 2160-4. [PMID:8384714]