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CHEBI:158626 - Ile-Met-His

ChEBI IDCHEBI:158626
ChEBI NameIle-Met-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H29N5O4S
Net Charge0
Average Mass399.517
Monoisotopic Mass399.19403
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C17H29N5O4S/c1-4-10(2)14(18)16(24)21-12(5-6-27-3)15(23)22-13(17(25)26)7-11-8-19-9-20-11/h8-10,12-14H,4-7,18H2,1-3H3,(H,19,20)(H,21,24)(H,22,23)(H,25,26)/t10-,12-,13-,14-/m0/s1
InChIKeyNNVXABCGXOLIEB-PYJNHQTQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ile-Met-His (CHEBI:158626) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid