CHEBI:158618 - Ile-Met-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 Ile-Met-Cys
ChEBI ID CHEBI:158618
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(15)13(19)16-9(5-6-23-3)12(18)17-10(7-22)14(20)21/h8-11,22H,4-7,15H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKey VUPHVQCDULLACF-NAKRPEOUSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](N)[C@H](CC)C)C(=O)N[C@@H](CS)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 Ile-Met-Cys (CHEBI:158618) is a peptide (CHEBI:16670)
IUPAC Name
(2R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-sulanylpropanoic acid