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CHEBI:161042 - Asp-Val-His

ChEBI IDCHEBI:161042
ChEBI NameAsp-Val-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23N5O6
Net Charge0
Average Mass369.378
Monoisotopic Mass369.16483
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C15H23N5O6/c1-7(2)12(20-13(23)9(16)4-11(21)22)14(24)19-10(15(25)26)3-8-5-17-6-18-8/h5-7,9-10,12H,3-4,16H2,1-2H3,(H,17,18)(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t9-,10-,12-/m0/s1
InChIKeyXQFLFQWOBXPMHW-NHCYSSNCSA-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)
Asp-Val-His (CHEBI:161042) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid