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CHEBI:231834 - 9a-demethylmitomycin A

ChEBI IDCHEBI:231834
ChEBI Name9a-demethylmitomycin A
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC15H16N3O6
Net Charge-1
Average Mass334.308
Monoisotopic Mass334.10446
SMILES[H][C@]12N[C@@]1([H])CN1C3=C(C(=O)C(OC)=C(C)C3=O)[C-](COC(N)=O)[C@]12O
InChIInChI=1S/C15H16N3O6/c1-5-10(19)9-8(11(20)12(5)23-2)6(4-24-14(16)21)15(22)13-7(17-13)3-18(9)15/h7,13,17,22H,3-4H2,1-2H3,(H2,16,21)/q-1/t7-,13-,15+/m0/s1
InChIKeyYHLAVOJSTFXYLK-QWPQFENESA-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)
9a-demethylmitomycin A (CHEBI:231834) is a mitomycin (CHEBI:25357)
9a-demethylmitomycin A (CHEBI:231834) is a organic anion (CHEBI:25696)
Synonym  Source
9a-demethylmitomycin ASUBMITTER
Citations