CHEBI:85419 - 7-demethylmitomycin A

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ChEBI Name 7-demethylmitomycin A
ChEBI ID CHEBI:85419
Definition A member of the family of mitomycins that is mitomycin A in which the methoxy group on the quinone ring is replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H17N3O6
Net Charge 0
Average Mass 335.31200
Monoisotopic Mass 335.11174
InChI InChI=1S/C15H17N3O6/c1-5-10(19)9-8(12(21)11(5)20)6(4-24-14(16)22)15(23-2)13-7(17-13)3-18(9)15/h6-7,13,17,20H,3-4H2,1-2H3,(H2,16,22)/t6-,7+,13+,15-/m1/s1
InChIKey WXARXUKKMUUSGN-WUDYKRTCSA-N
SMILES CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(O)=C(C)C1=O
Roles Classification
Biological Role(s): intercalator
A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages.
(via mitomycin )
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via mitomycin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-demethylmitomycin A (CHEBI:85419) is a mitomycin (CHEBI:25357)
7-demethylmitomycin A (CHEBI:85419) is a organic heterotetracyclic compound (CHEBI:38163)
7-demethylmitomycin A (CHEBI:85419) is conjugate acid of 7-demethylmitomycin A(1−) (CHEBI:84592)
Incoming 7-demethylmitomycin A(1−) (CHEBI:84592) is conjugate base of 7-demethylmitomycin A (CHEBI:85419)
IUPAC Name
[(1aS,8S,8aR,8bS)-6-hydroxy-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
Synonym Source
7-hydroxymitomycin A ChEBI
Manual Xref Database
CPD-17520 MetaCyc
View more database links
Registry Number Type Source
5773713 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17461583 PubMed citation Europe PMC
21538548 PubMed citation Europe PMC
23654296 PubMed citation Europe PMC
Last Modified
24 May 2023