3-hydroxylauric acid   Click here for help

GtoPdb Ligand ID: 5850

Synonyms: 3-hydroxy lauric acid
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 57.53
Molecular weight 216.17
XLogP 3.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCC(CC(=O)O)O
Isomeric SMILES CCCCCCCCCC(CC(=O)O)O
InChI InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChI Key MUCMKTPAZLSKTL-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
3-Hydroxydodecanoic acid
Synonyms Click here for help
3-hydroxy lauric acid
Database Links Click here for help
CAS Registry No. 1883-13-2 (source: Scifinder)
ChEBI CHEBI:36206
GtoPdb PubChem SID 178102474
PubChem CID 94216
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