CHEBI:158659 - Ala-Val-Ile

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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-Ile
ChEBI ID CHEBI:158659
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H27N3O4
Net Charge 0
Average Mass 301.387
Monoisotopic Mass 301.20016
InChI InChI=1S/C14H27N3O4/c1-6-8(4)11(14(20)21)17-13(19)10(7(2)3)16-12(18)9(5)15/h7-11H,6,15H2,1-5H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKey LYILPUNCKACNGF-NAKRPEOUSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)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-Ile (CHEBI:158659) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
Manual Xref Database
58808794 ChemSpider
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