CHEBI:158657 - Ala-Val-His

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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-Val-His
ChEBI ID CHEBI:158657
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H23N5O4
Net Charge 0
Average Mass 325.369
Monoisotopic Mass 325.17500
InChI InChI=1S/C14H23N5O4/c1-7(2)11(19-12(20)8(3)15)13(21)18-10(14(22)23)4-9-5-16-6-17-9/h5-8,10-11H,4,15H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)(H,22,23)/t8-,10-,11-/m0/s1
InChIKey CLOMBHBBUKAUBP-LSJOCFKGSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)C(C)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-Val-His (CHEBI:158657) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid