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CHEBI:156551 - cacibiocin A

ChEBI IDCHEBI:156551
ChEBI Namecacibiocin A
Stars
DefinitionAn aminocoumarin resulting from the formal condensation of one of the carboxy groups of pyrrole-2,5-dicarboxylic acid with the amino group of 3-amino-4,7-dihydroxycoumarin. It is a natural product isolated from Catenulispora acidiphila that doesn't exhibit an antimicrobial activity contrary to most aminocoumarins.
Last Modified25 January 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC15H10N2O7
Net Charge0
Average Mass330.252
Monoisotopic Mass330.04880
SMILESO=C(O)c1ccc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)n1
InChIInChI=1S/C15H10N2O7/c18-6-1-2-7-10(5-6)24-15(23)11(12(7)19)17-13(20)8-3-4-9(16-8)14(21)22/h1-5,16,18-19H,(H,17,20)(H,21,22)
InChIKeyCQPVSTSBYGSXSS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Catenulispora acidiphila DSM 44928 (ncbitaxon:479433) cell suspension culture (BTO:0000221) PubMed (24554531)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
cacibiocin A (CHEBI:156551) has functional parent 3-amino-4,7-dihydroxycoumarin (CHEBI:31107)
cacibiocin A (CHEBI:156551) has functional parent pyrrole-2,5-dicarboxylic acid (CHEBI:71161)
cacibiocin A (CHEBI:156551) has role bacterial metabolite (CHEBI:76969)
cacibiocin A (CHEBI:156551) is a aminocoumarin (CHEBI:85128)
cacibiocin A (CHEBI:156551) is a dicarboxylic acid monoamide (CHEBI:35735)
cacibiocin A (CHEBI:156551) is a diol (CHEBI:23824)
cacibiocin A (CHEBI:156551) is a hydroxycoumarin (CHEBI:37912)
cacibiocin A (CHEBI:156551) is a monocarboxylic acid (CHEBI:25384)
cacibiocin A (CHEBI:156551) is a pyrrolecarboxamide (CHEBI:48611)
cacibiocin A (CHEBI:156551) is a pyrrolecarboxylic acid (CHEBI:26454)
Incoming Relation(s)
cacibiocin B (CHEBI:156552) has functional parent cacibiocin A (CHEBI:156551)
IUPAC Name 
5-[(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid
Synonym  Source
5-[(4,7-dihydroxy-2-oxo-2H-1-benzopyran-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acidIUPAC
Manual XrefsDatabases
DE102013021828Patent
Citations