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CHEBI:160924 - Asp-Thr-His

Default Structure
ChEBI IDCHEBI:160924
ChEBI NameAsp-Thr-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21N5O7
Net Charge0
Average Mass371.350
Monoisotopic Mass371.14410
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C14H21N5O7/c1-6(20)11(19-12(23)8(15)3-10(21)22)13(24)18-9(14(25)26)2-7-4-16-5-17-7/h4-6,8-9,11,20H,2-3,15H2,1H3,(H,16,17)(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t6-,8+,9+,11+/m1/s1
InChIKeyXAPPCWUWHNWCPQ-PBCZWWQYSA-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-Thr-His (CHEBI:160924) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S,3R)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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