CHEBI:161557 - Cys-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 Cys-Met-Ile
ChEBI ID CHEBI:161557
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H27N3O4S2
Net Charge 0
Average Mass 365.510
Monoisotopic Mass 365.14430
InChI InChI=1S/C14H27N3O4S2/c1-4-8(2)11(14(20)21)17-13(19)10(5-6-23-3)16-12(18)9(15)7-22/h8-11,22H,4-7,15H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKey PEZINYWZBQNTIX-NAKRPEOUSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](N)CS)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 Cys-Met-Ile (CHEBI:161557) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylpentanoic acid