CHEBI:84590 - mitomycin B(1−)

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ChEBI Name mitomycin B(1−)
ChEBI ID CHEBI:84590
ChEBI ASCII Name mitomycin B(1-)
Definition An organic anion obtained by removal of the acidic proton from position 8 of mitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C16H18N3O6
Net Charge -1
Average Mass 348.33120
Monoisotopic Mass 348.12011
InChI InChI=1S/C16H18N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h8,14,23H,4-5H2,1-3H3,(H2,17,22)/q-1/t8-,14-,16+,18?/m0/s1
InChIKey XZHLAASMHPDMBP-LREIXMIKSA-N
SMILES COC1=C(C)C(=O)C2=C([C-](COC(N)=O)[C@@]3(O)[C@@H]4[C@H](CN23)N4C)C1=O
ChEBI Ontology
Outgoing mitomycin B(1−) (CHEBI:84590) is a organic anion (CHEBI:25696)
mitomycin B(1−) (CHEBI:84590) is conjugate base of mitomycin B (CHEBI:85416)
Incoming mitomycin B (CHEBI:85416) is conjugate acid of mitomycin B(1−) (CHEBI:84590)
IUPAC Name
(1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-8a-hydroxy-6-methoxy-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
Synonym Source
mitomycin B UniProt
Manual Xref Database
CPD-17521 MetaCyc
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Citations Waiting for Citations Types Sources
17461583 PubMed citation SUBMITTER
21538548 PubMed citation SUBMITTER
Last Modified
13 April 2015