CHEBI:200932 - Chlorocatechelin B

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ChEBI Name Chlorocatechelin B
ChEBI ID CHEBI:200932
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25ClN4O8
Net Charge 0
Average Mass 460.870
Monoisotopic Mass 460.13609
InChI InChI=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
InChIKey AIPMDKSFYQRSQQ-CHWSQXEVSA-N
SMILES ClC1=C(O)C(O)=C(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)CCCN(O)C=O)CCCN)C=C1
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
78436695 ChemSpider
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