EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32200 - tetracenomycin B3

Default Structure
ChEBI IDCHEBI:32200
ChEBI Nametetracenomycin B3
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H14O8
Net Charge0
Average Mass394.335
Monoisotopic Mass394.06887
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3cc(O)c(C(=O)O)c(C)c3c(O)c1C2=O
InChIInChI=1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)
InChIKeyNSKLWYCTXNPUBB-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
tetracenomycin B3 (CHEBI:32200) is a tetracenequinones (CHEBI:51286)
tetracenomycin B3 (CHEBI:32200) is a tetracenomycin (CHEBI:48132)
IUPAC Name 
3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid
Synonyms  Source
Tetracenomycin B(3)ChemIDplus
Tetracenomycin B3KEGG COMPOUND
Manual XrefsDatabases
C00017936KNApSAcK
C12369KEGG COMPOUND
Registry NumbersSources
Beilstein:6827928Beilstein
CAS:117241-62-0ChemIDplus