N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine (CHEBI:63801)

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CHEBI:63801 - N^α-citryl-N^ε-acetyl-N^ε-hydroxylysine

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ChEBI ID	CHEBI:63801
ChEBI Name	N^α-citryl-N^ε-acetyl-N^ε-hydroxylysine
Stars
ASCII Name	N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine
Definition	An L-lysine derivative that is N^α-citryl-L-lysine having hydroxy and acetyl substituents attached to the side-chain amino group.
Last Modified	27 October 2017
Submitter	Steve
Downloads	Molfile

Formula	C14H22N2O10
Net Charge	0
Average Mass	378.334
Monoisotopic Mass	378.12744
SMILES	CC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O
InChI	InChI=1S/C14H22N2O10/c1-8(17)16(26)5-3-2-4-9(12(21)22)15-10(18)6-14(25,13(23)24)7-11(19)20/h9,25-26H,2-7H2,1H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24)/t9-,14?/m0/s1
InChIKey	HPOPJZNNZCIWFX-CUVJYRNJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N^α-citryl-N^ε-acetyl-N^ε-hydroxylysine (CHEBI:63801) has functional parent citric acid (CHEBI:30769)
	N^α-citryl-N^ε-acetyl-N^ε-hydroxylysine (CHEBI:63801) is a L-lysine derivative (CHEBI:25095)
	N^α-citryl-N^ε-acetyl-N^ε-hydroxylysine (CHEBI:63801) is conjugate acid of N^α-citryl-N^ε-acetyl-N^ε-hydroxylysine(3−) (CHEBI:63796)
Incoming Relation(s)
	N^α-citryl-N^ε-acetyl-N^ε-hydroxylysine(3−) (CHEBI:63796) is conjugate base of N^α-citryl-N^ε-acetyl-N^ε-hydroxylysine (CHEBI:63801)

IUPAC Name
2-[2-({(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl}amino)-2-oxoethyl]-2-hydroxysuccinic acid

Synonyms	Source
N²-citryl-N⁶-acetyl-N⁶-hydroxylysine	ChEBI
N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine	KEGG COMPOUND

Manual Xrefs	Databases
C20333	KEGG COMPOUND

Citations