CHEBI:2504 - aflatoxin B1

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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
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Formula C17H12O6
Net Charge 0
Average Mass 312.27358
Monoisotopic Mass 312.063
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:9606) 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 )
View more via ChEBI Ontology
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
Database Links Databases
C00000546 KNApSAcK
C06800 KEGG COMPOUND
View more database links
Registry Number Type Source
1162-65-8 CAS Registry Number ChemIDplus
Last Modified
23 October 2015