CHEBI:230552 - n-hexanoyl histidine

ChEBI IDCHEBI:230552
ChEBI Namen-hexanoyl histidine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O3
Net Charge0
Average Mass253.302
Monoisotopic Mass253.14264
SMILESCCCCCC(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=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
InChIKeyORIZVAWRQXIOEB-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
n-hexanoyl histidine (CHEBI:230552) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S)-2-(hexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Manual XrefsDatabases
113371156ChemSpider