Terminology Service for NFDI4Health
mitomycin A(1-)
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http://purl.obolibrary.org/obo/CHEBI_84589
An organic anion obtained by removal of the acidic proton from position 8 of mitomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Term info
Label
mitomycin A(1-)
Synonyms
- (1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ide
Subsets
3_STAR
IUPAC NAME
(1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-6,8a-dimethoxy-5-methyl-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 A
id
CHEBI:84589
inchi
InChI=1S/C16H18N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h8,14,18H,4-5H2,1-3H3,(H2,17,22)/q-1/t8-,14-,16+/m0/s1
inchikey
TYJUHPLDNFWIRI-OCDRQSPJSA-N
mass
348.33120
monoisotopicmass
348.12011
smiles
COC1=C(C)C(=O)C2=C([C-](COC(N)=O)[C@@]3(OC)[C@H]4N[C@H]4CN23)C1=O
Term relations
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