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CHEBI:231217 - P-Hydroxyhippuryl-his-leu-OH

ChEBI IDCHEBI:231217
ChEBI NameP-Hydroxyhippuryl-his-leu-OH
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27N5O6
Net Charge0
Average Mass445.476
Monoisotopic Mass445.19613
SMILESCC(C)C[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C21H27N5O6/c1-12(2)7-17(21(31)32)26-20(30)16(8-14-9-22-11-24-14)25-18(28)10-23-19(29)13-3-5-15(27)6-4-13/h3-6,9,11-12,16-17,27H,7-8,10H2,1-2H3,(H,22,24)(H,23,29)(H,25,28)(H,26,30)(H,31,32)/t16-,17-/m0/s1
InChIKeyIHVRJTCVMKJNRP-IRXDYDNUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
P-Hydroxyhippuryl-his-leu-OH (CHEBI:231217) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid
Manual XrefsDatabases
116970ChemSpider