n-hexanoyl histidine (CHEBI:230552)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	n-hexanoyl histidine

ChEBI ID	CHEBI:230552

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H19N3O3

Net Charge

Average Mass

253.302

Monoisotopic Mass

253.14264

InChI

InChI=1S/C12H19N3O3/c1-2-3-4-5-11(16)15-10(12(17)18)6-9-7-13-8-14-9/h7-8,10H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t10-/m0/s1

InChIKey

ORIZVAWRQXIOEB-JTQLQIEISA-N

SMILES

O=C(N[C@@H](CC=1NC=NC1)C(O)=O)CCCCC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	n-hexanoyl histidine (CHEBI:230552) is a organic molecular entity (CHEBI:50860)

IUPAC Name

(2S)-2-(hexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid