CHEBI:31469 - desmethyldescarbamoylnovobiocin

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ChEBI Name desmethyldescarbamoylnovobiocin
ChEBI ID CHEBI:31469
Definition A hydroxycoumarin that is novobiocin lacking the 3-O-carbamoyl and 4-O-methyl groups from the hexose ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H33NO10
Net Charge 0
Average Mass 555.57300
Monoisotopic Mass 555.21045
InChI InChI=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)/t22-,23+,25+,28+/m0/s1
InChIKey ZCIRPBAEIIAERP-ZJTSJXPUSA-N
SMILES CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)c(C)c2oc1=O
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 desmethyldescarbamoylnovobiocin (CHEBI:31469) has role metabolite (CHEBI:25212)
desmethyldescarbamoylnovobiocin (CHEBI:31469) is a benzamides (CHEBI:22702)
desmethyldescarbamoylnovobiocin (CHEBI:31469) is a hexoside (CHEBI:35313)
desmethyldescarbamoylnovobiocin (CHEBI:31469) is a hydroxycoumarin (CHEBI:37912)
desmethyldescarbamoylnovobiocin (CHEBI:31469) is a monosaccharide derivative (CHEBI:63367)
desmethyldescarbamoylnovobiocin (CHEBI:31469) is conjugate acid of desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957)
Incoming desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957) is conjugate base of desmethyldescarbamoylnovobiocin (CHEBI:31469)
IUPAC Name
N-{7-[(6-deoxy-5-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
demethyldecarbamoylnovobiocin ChEBI
Desmethyldescarbamoylnovobiocin KEGG COMPOUND
Manual Xref Database
C12475 KEGG COMPOUND
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Registry Number Type Source
10226252 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14694473 PubMed citation Europe PMC
19857499 PubMed citation Europe PMC
5680046 PubMed citation Europe PMC
Last Modified
07 June 2013