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CHEBI:160429 - Asp-Asp-Thr

ChEBI IDCHEBI:160429
ChEBI NameAsp-Asp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O9
Net Charge0
Average Mass349.296
Monoisotopic Mass349.11213
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O9/c1-4(16)9(12(23)24)15-11(22)6(3-8(19)20)14-10(21)5(13)2-7(17)18/h4-6,9,16H,2-3,13H2,1H3,(H,14,21)(H,15,22)(H,17,18)(H,19,20)(H,23,24)/t4-,5+,6+,9+/m1/s1
InChIKeyBFOYULZBKYOKAN-OLHMAJIHSA-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-Asp-Thr (CHEBI:160429) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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57488520ChemSpider