CHEBI:158275 - Ala-Ile-Thr

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ChEBI Name Ala-Ile-Thr
ChEBI ID CHEBI:158275
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H25N3O5
Net Charge 0
Average Mass 303.359
Monoisotopic Mass 303.17942
InChI InChI=1S/C13H25N3O5/c1-5-6(2)9(15-11(18)7(3)14)12(19)16-10(8(4)17)13(20)21/h6-10,17H,5,14H2,1-4H3,(H,15,18)(H,16,19)(H,20,21)/t6-,7-,8+,9-,10-/m0/s1
InChIKey LXAARTARZJJCMB-CIQUZCHMSA-N
SMILES O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)[C@H](CC)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-Thr (CHEBI:158275) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid