CHEBI:165185 - N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine

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ChEBI Name N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine
ChEBI ID CHEBI:165185
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H22N2O8
Net Charge 0
Average Mass 418.402
Monoisotopic Mass 418.13762
InChI InChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1
InChIKey KQPFLOCEYZIIRD-ZDUSSCGKSA-N
SMILES OC(=O)[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCCNC(=O)C2=C(O)C(O)=CC=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine (CHEBI:165185) has functional parent N-benzoylglycine (CHEBI:18089)
N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine (CHEBI:165185) is a N-acylglycine (CHEBI:16180)
IUPAC Name
(2S)-2,6-bis[(2,3-dihydroxybenzoyl)amino]hexanoic acid
Manual Xrefs Databases
168002 ChemSpider
95B PDBeChem
C06446 KEGG COMPOUND
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Registry Number Type Source
23369-85-9 CAS Registry Number ChemIDplus