CHEBI:161279 - Cys-Gln-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-Gln-Ile
ChEBI ID CHEBI:161279
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H26N4O5S
Net Charge 0
Average Mass 362.450
Monoisotopic Mass 362.16239
InChI InChI=1S/C14H26N4O5S/c1-3-7(2)11(14(22)23)18-13(21)9(4-5-10(16)19)17-12(20)8(15)6-24/h7-9,11,24H,3-6,15H2,1-2H3,(H2,16,19)(H,17,20)(H,18,21)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChIKey RFHGRMMADHHQSA-KBIXCLLPSA-N
SMILES SC[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([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 Cys-Gln-Ile (CHEBI:161279) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid