lauric acid   Click here for help

GtoPdb Ligand ID: 5534

Synonyms: dodecoic acid | dodecylic acid | duodecyclic acid | n-dodecanoic acid | vulvic 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 10
Topological polar surface area 37.3
Molecular weight 200.18
XLogP 5.29
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCC(=O)O
Isomeric SMILES CCCCCCCCCCCC(=O)O
InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChI Key POULHZVOKOAJMA-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
Dodecanoic acid
Synonyms Click here for help
dodecoic acid | dodecylic acid | duodecyclic acid | n-dodecanoic acid | vulvic acid
Database Links Click here for help
CAS Registry No. 143-07-7 (source: Scifinder)
ChEBI CHEBI:30805
ChEMBL Ligand CHEMBL108766
DrugCentral Ligand 4642
GtoPdb PubChem SID 178102176
PubChem CID 3893
RCSB PDB Ligand DAO
Search Google for chemical match using the InChIKey POULHZVOKOAJMA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone POULHZVOKOAJMA
Search UniChem for chemical match using the InChIKey POULHZVOKOAJMA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone POULHZVOKOAJMA
Wikipedia Lauric_acid