CHEBI:160301 - Asp-Ala-Met

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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 Asp-Ala-Met
ChEBI ID CHEBI:160301
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H21N3O6S
Net Charge 0
Average Mass 335.380
Monoisotopic Mass 335.11511
InChI InChI=1S/C12H21N3O6S/c1-6(14-11(19)7(13)5-9(16)17)10(18)15-8(12(20)21)3-4-22-2/h6-8H,3-5,13H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKey CXBOKJPLEYUPGB-FXQIFTODSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C)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 Asp-Ala-Met (CHEBI:160301) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid