CHEBI:143794 - 3,5,6-trichloro-2-pyridinol

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ChEBI Name 3,5,6-trichloro-2-pyridinol
ChEBI ID CHEBI:143794
Definition A hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C5H2Cl3NO
Net Charge 0
Average Mass 198.430
Monoisotopic Mass 196.92020
InChI InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)
InChIKey WCYYAQFQZQEUEN-UHFFFAOYSA-N
SMILES C=1(N=C(C(=CC1Cl)Cl)Cl)O
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 3,5,6-trichloro-2-pyridinol (CHEBI:143794) has role human urinary metabolite (CHEBI:84087)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) has role human xenobiotic metabolite (CHEBI:76967)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) is a chloropyridine (CHEBI:39173)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) is a hydroxypyridine (CHEBI:24745)
3,5,6-trichloro-2-pyridinol (CHEBI:143794) is tautomer of 3,5,6-trichloropyridine-2-one (CHEBI:83490)
Incoming 3,5,6-trichloropyridine-2-one (CHEBI:83490) is tautomer of 3,5,6-trichloro-2-pyridinol (CHEBI:143794)
IUPAC Name
3,5,6-trichloropyridin-2-ol
Synonyms Sources
2,3,5-trichloro-6-pyridinol ChEBI
2,3,5-trichloropyridine-6-ol ChEBI
2-hydroxy-3,5,6-trichloropyridine NIST Chemistry WebBook
3,5,6-trichloro-2-hydroxypyridine NIST Chemistry WebBook
3,5,6-trichloropyridin-2-ol UniProt
3,5,6-trichloropyridine-2-ol HMDB
3,5,6-tris(chloranyl)pyridin-2-ol PDBeChem
TCPy SUBMITTER
TCpyol ChEBI
Manual Xrefs Databases
6GNP PDB
F4Z PDBeChem
HMDB0039853 HMDB
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Registry Numbers Types Sources
6515-38-4 CAS Registry Number NIST Chemistry WebBook
6515-38-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
28939184 PubMed citation Europe PMC
29846064 PubMed citation Europe PMC
30226982 PubMed citation Europe PMC
30343485 PubMed citation Europe PMC
30903958 PubMed citation Europe PMC
30929106 PubMed citation Europe PMC
31108286 PubMed citation Europe PMC
Last Modified
19 July 2020