CHEBI:158202 - Ala-His-Ala

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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-His-Ala
ChEBI ID CHEBI:158202
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H19N5O4
Net Charge 0
Average Mass 297.315
Monoisotopic Mass 297.14370
InChI InChI=1S/C12H19N5O4/c1-6(13)10(18)17-9(3-8-4-14-5-15-8)11(19)16-7(2)12(20)21/h4-7,9H,3,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)(H,20,21)/t6-,7-,9-/m0/s1
InChIKey JDIQCVUDDFENPU-ZKWXMUAHSA-N
SMILES O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC=1NC=NC1
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-His-Ala (CHEBI:158202) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
Manual Xref Database
5382928 ChemSpider
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