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CHEBI:73957 - desmethyldescarbamoylnovobiocin(1−)

ChEBI IDCHEBI:73957
ChEBI Namedesmethyldescarbamoylnovobiocin(1−)
Stars
ASCII Namedesmethyldescarbamoylnovobiocin(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of desmethyldescarbamoylnovobiocin.
Last Modified14 June 2013
SubmitterKAX
DownloadsMolfile
FormulaC29H32NO10
Net Charge-1
Average Mass554.572
Monoisotopic Mass554.20317
SMILESCC(C)=CCc1cc(C(=O)Nc2c([O-])c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(C)c3oc2=O)ccc1O
InChIInChI=1S/C29H33NO10/c1-13(2)6-7-15-12-16(8-10-18(15)31)26(36)30-20-21(32)17-9-11-19(14(3)24(17)39-27(20)37)38-28-23(34)22(33)25(35)29(4,5)40-28/h6,8-12,22-23,25,28,31-35H,7H2,1-5H3,(H,30,36)/p-1/t22-,23+,25+,28+/m0/s1
InChIKeyZCIRPBAEIIAERP-ZJTSJXPUSA-M
ChEBI Ontology
Outgoing Relation(s)
desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957) is a organic anion (CHEBI:25696)
desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957) is conjugate base of desmethyldescarbamoylnovobiocin (CHEBI:31469)
Incoming Relation(s)
desmethyldescarbamoylnovobiocin (CHEBI:31469) is conjugate acid of desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957)
IUPAC Name 
3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-7-{[(2R,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-2H-chromen-4-olate
Synonym  Source
demethyldecarbamoylnovobiocin(1−)ChEBI
UniProt Name  Source
desmethyldescarbamoylnovobiocinUniProt
Citations