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CHEBI:221308 - Pentanochelin

ChEBI IDCHEBI:221308
ChEBI NamePentanochelin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O6
Net Charge0
Average Mass374.393
Monoisotopic Mass374.14779
SMILESO=C(NCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O
InChIInChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)
InChIKeyBRWLZTCRFJVZDD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acinetobacter bouvetii DSM 14964 = CIP 107468 (ncbitaxon:1120925) - PubMed (32926028)
ChEBI Ontology
Outgoing Relation(s)
Pentanochelin (CHEBI:221308) is a salicylamides (CHEBI:53443)
IUPAC Name 
N-[5-[(2,3-dihydroxybenzoyl)amino]pentyl]-2,3-dihydroxybenzamide
Manual XrefsDatabases
5LCPDBeChem
24707089ChemSpider