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CHEBI:160662 - Asp-Ile-Thr

ChEBI IDCHEBI:160662
ChEBI NameAsp-Ile-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O7
Net Charge0
Average Mass347.368
Monoisotopic Mass347.16925
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C14H25N3O7/c1-4-6(2)10(16-12(21)8(15)5-9(19)20)13(22)17-11(7(3)18)14(23)24/h6-8,10-11,18H,4-5,15H2,1-3H3,(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t6-,7+,8-,10-,11-/m0/s1
InChIKeySPWXXPFDTMYTRI-IUKAMOBKSA-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-Ile-Thr (CHEBI:160662) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S,3S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid