CHEBI:158251 - Ala-Ile-Cys

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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-Cys
ChEBI ID CHEBI:158251
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H23N3O4S
Net Charge 0
Average Mass 305.390
Monoisotopic Mass 305.14093
InChI InChI=1S/C12H23N3O4S/c1-4-6(2)9(15-10(16)7(3)13)11(17)14-8(5-20)12(18)19/h6-9,20H,4-5,13H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t6-,7-,8-,9-/m0/s1
InChIKey FOHXUHGZZKETFI-JBDRJPRFSA-N
SMILES SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)[C@H](CC)C)C(O)=O
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-Cys (CHEBI:158251) is a peptide (CHEBI:16670)
IUPAC Name
(2R)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-sulanylpropanoic acid