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CHEBI:200932 - Chlorocatechelin B

ChEBI IDCHEBI:200932
ChEBI NameChlorocatechelin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25ClN4O8
Net Charge0
Average Mass460.871
Monoisotopic Mass460.13609
SMILESNCCC[C@@H](NC(=O)c1ccc(Cl)c(O)c1O)C(=O)N[C@H](CCCN(O)C=O)C(=O)O
InChIInChI=1S/C18H25ClN4O8/c19-11-6-5-10(14(25)15(11)26)16(27)21-12(3-1-7-20)17(28)22-13(18(29)30)4-2-8-23(31)9-24/h5-6,9,12-13,25-26,31H,1-4,7-8,20H2,(H,21,27)(H,22,28)(H,29,30)/t12-,13-/m1/s1
InChIKeyAIPMDKSFYQRSQQ-CHWSQXEVSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (25408968)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chlorocatechelin B (CHEBI:200932) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-[[(2R)-5-amino-2-[(4-chloro-2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-5-[ormyl(hydroxy)amino]pentanoic acid
Manual XrefsDatabases
78436695ChemSpider