CHEBI:73953 - novobiocic acid(1−)

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ChEBI Name novobiocic acid(1−)
ChEBI ID CHEBI:73953
ChEBI ASCII Name novobiocic acid(1-)
Definition An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of novobiocic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
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Formula C22H20NO6
Net Charge -1
Average Mass 394.39730
Monoisotopic Mass 394.12961
InChI InChI=1S/C22H21NO6/c1-11(2)4-5-13-10-14(6-8-17(13)25)21(27)23-18-19(26)15-7-9-16(24)12(3)20(15)29-22(18)28/h4,6-10,24-26H,5H2,1-3H3,(H,23,27)/p-1
InChIKey NMCFFEJWADWZTI-UHFFFAOYSA-M
SMILES CC(C)=CCc1cc(ccc1O)C(=O)Nc1c([O-])c2ccc(O)c(C)c2oc1=O
ChEBI Ontology
Outgoing novobiocic acid(1−) (CHEBI:73953) is a organic anion (CHEBI:25696)
novobiocic acid(1−) (CHEBI:73953) is conjugate base of novobiocic acid (CHEBI:31923)
Incoming novobiocic acid (CHEBI:31923) is conjugate acid of novobiocic acid(1−) (CHEBI:73953)
IUPAC Name
7-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate
Synonyms Sources
novobiocic acid UniProt
novobiocic acid anion ChEBI
Citation
Pacholec M, Tao J, Walsh CT (2005)
CouO and NovO: C-methyltransferases for tailoring the aminocoumarin scaffold in coumermycin and novobiocin antibiotic biosynthesis.
Biochemistry 44, 14969-14976 (Source: SUBMITTER) [PubMed:16274243]
[show Abstract]
Last Modified
06 June 2013