CHEBI:147332 - 3-propylcatechol

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ChEBI Name 3-propylcatechol
ChEBI ID CHEBI:147332
Definition A member of the class of catechols that is catechol which is substituted by a propyl group at position 3. It is a chemical component in tobacco.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C9H12O2
Net Charge 0
Average Mass 152.193
Monoisotopic Mass 152.08373
InChI InChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(10)9(7)11/h3,5-6,10-11H,2,4H2,1H3
InChIKey GOZVFLWHGAXTPA-UHFFFAOYSA-N
SMILES C=1(C=CC=C(C1O)O)CCC
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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ChEBI Ontology
Outgoing 3-propylcatechol (CHEBI:147332) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-propylcatechol (CHEBI:147332) is a catechols (CHEBI:33566)
IUPAC Name
3-propylbenzene-1,2-diol
Synonyms Sources
3-n-propylcatechol ChEBI
3-propyl-1,2-benzenediol ChemIDplus
3-propylcatechol UniProt
3-propylpyrocatechol ChEBI
Manual Xref Database
CPD0-2477 MetaCyc
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Registry Number Type Source
2896-63-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
543699 PubMed citation Europe PMC
8481010 PubMed citation SUBMITTER
8752345 PubMed citation Europe PMC
Last Modified
19 May 2020