CHEBI:163758 - Thr-Asp-Thr

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Thr-Asp-Thr
ChEBI ID CHEBI:163758
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H21N3O8
Net Charge 0
Average Mass 335.313
Monoisotopic Mass 335.13286
InChI InChI=1S/C12H21N3O8/c1-4(16)8(13)11(21)14-6(3-7(18)19)10(20)15-9(5(2)17)12(22)23/h4-6,8-9,16-17H,3,13H2,1-2H3,(H,14,21)(H,15,20)(H,18,19)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1
InChIKey XDARBNMYXKUFOJ-GSSVUCPTSA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CC(O)=O)C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Thr-Asp-Thr (CHEBI:163758) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxobutanoic acid