CHEBI:78582 - aflatoxin Q1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aflatoxin Q1
ChEBI ASCII Name aflatoxin Q1
Definition A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at the pro-3S position is replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
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Formula C17H12O7
Net Charge 0
Average Mass 328.27300
Monoisotopic Mass 328.05830
InChI InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1
SMILES COc1cc2O[C@H]3OC=C[C@H]3c2c2oc(=O)c3C(=O)C[C@H](O)c3c12
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Poisonous substance produced by fungi.
(via aflatoxin )
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ChEBI Ontology
Outgoing aflatoxin Q1 (CHEBI:78582) has functional parent aflatoxin B1 (CHEBI:2504)
aflatoxin Q1 (CHEBI:78582) has role carcinogenic agent (CHEBI:50903)
aflatoxin Q1 (CHEBI:78582) has role human xenobiotic metabolite (CHEBI:76967)
aflatoxin Q1 (CHEBI:78582) is a aflatoxin (CHEBI:22271)
aflatoxin Q1 (CHEBI:78582) is a aromatic ether (CHEBI:35618)
aflatoxin Q1 (CHEBI:78582) is a aromatic ketone (CHEBI:76224)
Synonym Source
Manual Xrefs Databases
C00023624 KNApSAcK
HMDB0030753 HMDB
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Registry Numbers Types Sources
52819-96-2 CAS Registry Number ChemIDplus
8866397 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1185319 PubMed citation Europe PMC
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Last Modified
05 August 2014