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mitomycin B(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_84590

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.).

Term info

Label

mitomycin B(1-)

Synonyms
  • (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
database cross reference
Subsets

3_STAR

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 [ IUPAC ]

charge

-1

formula

C16H18N3O6

has obo namespace

chebi_ontology

has related synonym

mitomycin B

id

CHEBI:84590

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

mass

348.33120

monoisotopicmass

348.12011

smiles

COC1=C(C)C(=O)C2=C([C-](COC(N)=O)[C@@]3(O)[C@@H]4[C@H](CN23)N4C)C1=O

Term relations