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CHEBI:31751 - kinamycin D

ChEBI IDCHEBI:31751
ChEBI Namekinamycin D
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H18N2O9
Net Charge0
Average Mass454.391
Monoisotopic Mass454.10123
SMILESCC(=O)O[C@@H]1c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](O)[C@@H](OC(C)=O)[C@]1(C)O
InChIInChI=1S/C22H18N2O9/c1-7(25)32-20-15-13(19(30)21(22(20,3)31)33-8(2)26)12-14(16(15)24-23)18(29)11-9(17(12)28)5-4-6-10(11)27/h4-6,19-21,27,30-31H,1-3H3/t19-,20+,21+,22+/m0/s1
InChIKeyKPVVXTRWIKTJBS-DXBBTUNJSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
kinamycin D (CHEBI:31751) is a kinamycin (CHEBI:48207)
IUPAC Name 
(1R,2R,3R,4S)-11-diazo-2,4,9-trihydroxy-2-methyl-5,10-dioxo-2,3,4,5,10,11-hexahydro-1H-benzo[b]fluorene-1,3-diyl diacetate
Synonym  Source
Kinamycin DKEGG COMPOUND
Manual XrefsDatabases
C12394KEGG COMPOUND
C00018813KNApSAcK
Registry NumbersSources
Beilstein:505073Beilstein
CAS:35303-14-1ChemIDplus
CAS:35303-14-1KEGG COMPOUND