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CHEBI:160621 - Asp-His-Thr

ChEBI IDCHEBI:160621
ChEBI NameAsp-His-Thr
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](Cc1cncn1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C14H21N5O7/c1-6(20)11(14(25)26)19-13(24)9(2-7-4-16-5-17-7)18-12(23)8(15)3-10(21)22/h4-6,8-9,11,20H,2-3,15H2,1H3,(H,16,17)(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t6-,8+,9+,11+/m1/s1
InChIKeyRKNIUWSZIAUEPK-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-His-Thr (CHEBI:160621) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid