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CHEBI:85419 - 7-demethylmitomycin A

ChEBI IDCHEBI:85419
ChEBI Name7-demethylmitomycin A
Stars
DefinitionA 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.
Last Modified24 May 2023
SubmitterSteve
DownloadsMolfile
FormulaC15H17N3O6
Net Charge0
Average Mass335.316
Monoisotopic Mass335.11174
SMILES[H][C@]12N[C@@]1([H])CN1C3=C(C(=O)C(O)=C(C)C3=O)[C@@H](COC(N)=O)[C@]12OC
InChIInChI=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
InChIKeyWXARXUKKMUUSGN-WUDYKRTCSA-N
Roles Classification
Biological Roles:
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.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 AChEBI
Manual XrefsDatabases
CPD-17520MetaCyc
Registry NumbersSources
Reaxys:5773713Reaxys
Citations