CHEBI:158241 - Ala-His-Val

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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-Val
ChEBI ID CHEBI:158241
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(14(22)23)19-13(21)10(18-12(20)8(3)15)4-9-5-16-6-17-9/h5-8,10-11H,4,15H2,1-3H3,(H,16,17)(H,18,20)(H,19,21)(H,22,23)/t8-,10-,11-/m0/s1
InChIKey HJGZVLLLBJLXFC-LSJOCFKGSA-N
SMILES O=C(N[C@@H](C(C)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-Val (CHEBI:158241) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoic acid