CHEBI:84591 - 7-demethylmitomycin B(1−)

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ChEBI Name 7-demethylmitomycin B(1−) ChEBI ID CHEBI:84591 ChEBI ASCII Name 7-demethylmitomycin B(1-) Definition An organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin B. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information ZINC000230540928 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H16N3O6 Net Charge -1 Average Mass 334.30460 Monoisotopic Mass 334.10446 InChI InChI=1S/C15H16N3O6/c1-5-10(19)9-8(12(21)11(5)20)6(4-24-14(16)22)15(23)13-7(17(13)2)3-18(9)15/h7,13,20,23H,3-4H2,1-2H3,(H2,16,22)/q-1/t7-,13-,15+,17?/m0/s1 InChIKey LQVPZGHBDFKRML-LGRCCZASSA-N SMILES CN1[C@H]2CN3C4=C([C-](COC(N)=O)[C@@]3(O)[C@@H]12)C(=O)C(O)=C(C)C4=O ChEBI Ontology Outgoing 7-demethylmitomycin B(1−) (CHEBI:84591) is a organic anion (CHEBI:25696) 7-demethylmitomycin B(1−) (CHEBI:84591) is conjugate acid of 7-demethylmitomycin B(2−) (CHEBI:84952) 7-demethylmitomycin B(1−) (CHEBI:84591) is conjugate base of 7-demethylmitomycin B (CHEBI:85418) Incoming 7-demethylmitomycin B (CHEBI:85418) is conjugate acid of 7-demethylmitomycin B(1−) (CHEBI:84591) 7-demethylmitomycin B(2−) (CHEBI:84952) is conjugate base of 7-demethylmitomycin B(1−) (CHEBI:84591) IUPAC Name (1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-6,8a-dihydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ide Synonyms Sources 6-hydroxymitomycin B(1−) ChEBI 7-hydroxymitomycin B(1−) ChEBI Citations Types Sources 17461583 PubMed citation SUBMITTER 21538548 PubMed citation SUBMITTER Last Modified 09 January 2023