CHEBI:158267 - Ala-Ile-Met

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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-Ile-Met
ChEBI ID CHEBI:158267
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(17-12(18)9(3)15)13(19)16-10(14(20)21)6-7-22-4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKey XCZXVTHYGSMQGH-NAKRPEOUSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)[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-Ile-Met (CHEBI:158267) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulanylbutanoic acid