decanoic acid   Click here for help

GtoPdb Ligand ID: 5532

Synonyms: capric acid | decoic acid
PDB Ligand
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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 8
Topological polar surface area 37.3
Molecular weight 172.15
XLogP 4.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCC(=O)O
Isomeric SMILES CCCCCCCCCC(=O)O
InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChI Key GHVNFZFCNZKVNT-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
Decanoic acid
Synonyms Click here for help
capric acid | decoic acid
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9683563
Reactome Reaction Reactome logo R-HSA-9683546
Other databases
CAS Registry No. 334-48-5 (source: Scifinder)
ChEBI CHEBI:30813
ChEMBL Ligand CHEMBL107498
GtoPdb PubChem SID 178102174
PubChem CID 2969
RCSB PDB Ligand DKA
Search Google for chemical match using the InChIKey GHVNFZFCNZKVNT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GHVNFZFCNZKVNT
Search UniChem for chemical match using the InChIKey GHVNFZFCNZKVNT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GHVNFZFCNZKVNT
Wikipedia Decanoic_acid