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CHEBI:84592 - 7-demethylmitomycin A(1−)

Default Structure
ChEBI IDCHEBI:84592
ChEBI Name7-demethylmitomycin A(1−)
Stars
ASCII Name7-demethylmitomycin A(1-)
DefinitionAn organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin A.
Last Modified13 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H16N3O6
Net Charge-1
Average Mass334.308
Monoisotopic Mass334.10446
SMILES[H][C@]12N[C@@]1([H])CN1C3=C(C(=O)C(O)=C(C)C3=O)[C-](COC(N)=O)[C@]12OC
InChIInChI=1S/C15H16N3O6/c1-5-10(19)9-8(12(21)11(5)20)6(4-24-14(16)22)15(23-2)13-7(17-13)3-18(9)15/h7,13,17,20H,3-4H2,1-2H3,(H2,16,22)/q-1/t7-,13-,15+/m0/s1
InChIKeySEDXDKBKHLUKRM-QWPQFENESA-N
ChEBI Ontology
Outgoing Relation(s)
7-demethylmitomycin A(1−) (CHEBI:84592) is a organic anion (CHEBI:25696)
7-demethylmitomycin A(1−) (CHEBI:84592) is conjugate acid of 7-demethylmitomycin A(2−) (CHEBI:84955)
7-demethylmitomycin A(1−) (CHEBI:84592) is conjugate base of 7-demethylmitomycin A (CHEBI:85419)
Incoming Relation(s)
7-demethylmitomycin A (CHEBI:85419) is conjugate acid of 7-demethylmitomycin A(1−) (CHEBI:84592)
7-demethylmitomycin A(2−) (CHEBI:84955) is conjugate base of 7-demethylmitomycin A(1−) (CHEBI:84592)
IUPAC Name 
(1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-6-hydroxy-8a-methoxy-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
Manual XrefsDatabases
CPD-17520MetaCyc
Citations