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CHEBI:73955 - descarbamoylnovobiocin(1−)

ChEBI IDCHEBI:73955
ChEBI Namedescarbamoylnovobiocin(1−)
Stars
ASCII Namedescarbamoylnovobiocin(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of descarbamoylnovobiocin.
Last Modified14 June 2013
SubmitterKAX
DownloadsMolfile
FormulaC30H34NO10
Net Charge-1
Average Mass568.599
Monoisotopic Mass568.21882
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C30H35NO10/c1-14(2)7-8-16-13-17(9-11-19(16)32)27(36)31-21-22(33)18-10-12-20(15(3)25(18)40-28(21)37)39-29-24(35)23(34)26(38-6)30(4,5)41-29/h7,9-13,23-24,26,29,32-35H,8H2,1-6H3,(H,31,36)/p-1/t23-,24+,26+,29+/m0/s1
InChIKeyUZHGFJZFJRMSOS-NANZAVOOSA-M
ChEBI Ontology
Outgoing Relation(s)
descarbamoylnovobiocin(1−) (CHEBI:73955) is a organic anion (CHEBI:25696)
descarbamoylnovobiocin(1−) (CHEBI:73955) is conjugate base of descarbamoylnovobiocin (CHEBI:31467)
Incoming Relation(s)
descarbamoylnovobiocin (CHEBI:31467) is conjugate acid of descarbamoylnovobiocin(1−) (CHEBI:73955)
IUPAC Name 
7-{[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate
Synonym  Source
decarbamoylnovobiocin(1−)ChEBI
UniProt Name  Source
descarbamoylnovobiocinUniProt
Citations