CHEBI:158030 - Ala-Asp-Gln

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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-Gln
ChEBI ID CHEBI:158030
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20N4O7
Net Charge 0
Average Mass 332.313
Monoisotopic Mass 332.13320
InChI InChI=1S/C12H20N4O7/c1-5(13)10(20)16-7(4-9(18)19)11(21)15-6(12(22)23)2-3-8(14)17/h5-7H,2-4,13H2,1H3,(H2,14,17)(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKey MCKSLROAGSDNFC-ACZMJKKPSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC(O)=O
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-Gln (CHEBI:158030) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid