CHEBI:158046 - Ala-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 Ala-Asp-Thr
ChEBI ID CHEBI:158046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H19N3O7
Net Charge 0
Average Mass 305.287
Monoisotopic Mass 305.12230
InChI InChI=1S/C11H19N3O7/c1-4(12)9(18)13-6(3-7(16)17)10(19)14-8(5(2)15)11(20)21/h4-6,8,15H,3,12H2,1-2H3,(H,13,18)(H,14,19)(H,16,17)(H,20,21)/t4-,5+,6-,8-/m0/s1
InChIKey BTYTYHBSJKQBQA-GCJQMDKQSA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)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 )
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ChEBI Ontology
Outgoing Ala-Asp-Thr (CHEBI:158046) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-[[(2S)-2-aminopropanoyl]amino]-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxobutanoic acid