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

ChEBI IDCHEBI:84591
ChEBI Name7-demethylmitomycin B(1−)
Stars
ASCII Name7-demethylmitomycin B(1-)
DefinitionAn organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin B.
Last Modified9 January 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H16N3O6
Net Charge-1
Average Mass334.308
Monoisotopic Mass334.10446
SMILES[H][C@]12N(C)[C@@]1([H])CN1C3=C(C(=O)C(O)=C(C)C3=O)[C-](COC(N)=O)[C@]12O
InChIInChI=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
InChIKeyLQVPZGHBDFKRML-LGRCCZASSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
7-hydroxymitomycin B(1−)ChEBI
6-hydroxymitomycin B(1−)ChEBI
Citations