CHEBI:158381 - Ala-Met-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-Met-Ile
ChEBI ID CHEBI:158381
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H27N3O4S
Net Charge 0
Average Mass 333.450
Monoisotopic Mass 333.17223
InChI InChI=1S/C14H27N3O4S/c1-5-8(2)11(14(20)21)17-13(19)10(6-7-22-4)16-12(18)9(3)15/h8-11H,5-7,15H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKey IHRGVZXPTIQNIP-NAKRPEOUSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](N)C)C(=O)N[C@@H]([C@H](CC)C)C(O)=O)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-Met-Ile (CHEBI:158381) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylpentanoic acid