aflatoxin B(1) (CHEBI:2504)

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ChEBI Name	aflatoxin B₁

ChEBI ID	CHEBI:2504

ChEBI ASCII Name	aflatoxin B1

Definition	An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB8327518, eMolecules:501674, ZINC000000900692

Download	Molfile XML SDF

Formula

C17H12O6

Net Charge

Average Mass

312.27358

Monoisotopic Mass

312.06339

InChI

InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1

InChIKey

OQIQSTLJSLGHID-WNWIJWBNSA-N

SMILES

[H][C@]12OC=C[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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. mycotoxin Poisonous substance produced by fungi. (via aflatoxin )

ChEBI Ontology
Outgoing	aflatoxin B₁ (CHEBI:2504) has role carcinogenic agent (CHEBI:50903) aflatoxin B₁ (CHEBI:2504) has role human metabolite (CHEBI:77746) aflatoxin B₁ (CHEBI:2504) is a aflatoxin (CHEBI:22271) aflatoxin B₁ (CHEBI:2504) is a aromatic ether (CHEBI:35618) aflatoxin B₁ (CHEBI:2504) is a aromatic ketone (CHEBI:76224)

Incoming	aflatoxin B₁ 8,9-dihydrodiol (CHEBI:53106) has functional parent aflatoxin B₁ (CHEBI:2504) aflatoxin B₁ endo-8,9-oxide (CHEBI:78586) has functional parent aflatoxin B₁ (CHEBI:2504) aflatoxin B₁ triol (CHEBI:53108) has functional parent aflatoxin B₁ (CHEBI:2504) aflatoxin M₁ (CHEBI:78576) has functional parent aflatoxin B₁ (CHEBI:2504) aflatoxin Q₁ (CHEBI:78582) has functional parent aflatoxin B₁ (CHEBI:2504)

IUPAC Name

(6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione

Synonyms	Sources
2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione	ChemIDplus
Aflatoxin B1	KEGG COMPOUND
aflatoxin B₁	UniProt

Registry Number	Type	Source
1162-65-8	CAS Registry Number	ChemIDplus

Last Modified

23 October 2015