CHEBI:31467 - descarbamoylnovobiocin

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ChEBI Name descarbamoylnovobiocin
ChEBI ID CHEBI:31467
Definition A hydroxycoumarin that is novobiocin lacking the carbamoyl group from position 3 on the hexose ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H35NO10
Net Charge 0
Average Mass 569.59960
Monoisotopic Mass 569.22610
InChI InChI=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)/t23-,24+,26+,29+/m0/s1
InChIKey UZHGFJZFJRMSOS-NANZAVOOSA-N
SMILES CO[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
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing descarbamoylnovobiocin (CHEBI:31467) has role metabolite (CHEBI:25212)
descarbamoylnovobiocin (CHEBI:31467) is a benzamides (CHEBI:22702)
descarbamoylnovobiocin (CHEBI:31467) is a hexoside (CHEBI:35313)
descarbamoylnovobiocin (CHEBI:31467) is a hydroxycoumarin (CHEBI:37912)
descarbamoylnovobiocin (CHEBI:31467) is a monosaccharide derivative (CHEBI:63367)
descarbamoylnovobiocin (CHEBI:31467) is conjugate acid of descarbamoylnovobiocin(1−) (CHEBI:73955)
Incoming descarbamoylnovobiocin(1−) (CHEBI:73955) is conjugate base of descarbamoylnovobiocin (CHEBI:31467)
IUPAC Name
N-{7-[(6-deoxy-5-methyl-4-O-methyl-β-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
Synonyms Sources
decarbamoylnovobiocin ChEBI
Descarbamoylnovobiocin KEGG COMPOUND
Manual Xref Database
C12476 KEGG COMPOUND
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Registry Numbers Types Sources
10544-02-2 CAS Registry Number ChemIDplus
6552957 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14694473 PubMed citation Europe PMC
17580964 PubMed citation Europe PMC
19857499 PubMed citation Europe PMC
Last Modified
07 June 2013