aflatoxin M(1) (CHEBI:78576)

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ChEBI Name	aflatoxin M₁

ChEBI ID	CHEBI:78576

ChEBI ASCII Name	aflatoxin M1

Definition	A member of the class of aflatoxins that is aflatoxin B₁ in which the hydrogen at position 9a is replaced by a hydroxy group.

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

Submitter	Bijay

Supplier Information

Download	Molfile XML SDF

Formula

C17H12O7

Net Charge

Average Mass

328.27300

Monoisotopic Mass

328.05830

InChI

InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1

InChIKey

MJBWDEQAUQTVKK-IAGOWNOFSA-N

SMILES

COc1cc2O[C@H]3OC=C[C@@]3(O)c2c2oc(=O)c3C(=O)CCc3c12

Metabolite of Species	Details
Aspergillus flavus (NCBI:txid5059)	of strain NRRL 3251 See: PubMed
Aspergillus parasiticus (NCBI:txid5067)	See: PubMed

Roles Classification
Biological Role(s):	mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. mycotoxin Poisonous substance produced by fungi. (via aflatoxin )

ChEBI Ontology
Outgoing	aflatoxin M₁ (CHEBI:78576) has functional parent aflatoxin B₁ (CHEBI:2504) aflatoxin M₁ (CHEBI:78576) has role Aspergillus metabolite (CHEBI:76956) aflatoxin M₁ (CHEBI:78576) has role human xenobiotic metabolite (CHEBI:76967) aflatoxin M₁ (CHEBI:78576) has role mammalian metabolite (CHEBI:75768) aflatoxin M₁ (CHEBI:78576) is a aflatoxin (CHEBI:22271) aflatoxin M₁ (CHEBI:78576) is a aromatic ether (CHEBI:35618) aflatoxin M₁ (CHEBI:78576) is a aromatic ketone (CHEBI:76224) aflatoxin M₁ (CHEBI:78576) is a tertiary alcohol (CHEBI:26878)

Incoming	aflatoxin M₁ 8,9-epoxide (CHEBI:78577) has functional parent aflatoxin M₁ (CHEBI:78576)

IUPAC Name

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

Last Modified

26 October 2016