CHEBI:158362 - Ile-Gln-Thr

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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-Gln-Thr
ChEBI ID CHEBI:158362
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H28N4O6
Net Charge 0
Average Mass 360.411
Monoisotopic Mass 360.20088
InChI InChI=1S/C15H28N4O6/c1-4-7(2)11(17)14(23)18-9(5-6-10(16)21)13(22)19-12(8(3)20)15(24)25/h7-9,11-12,20H,4-6,17H2,1-3H3,(H2,16,21)(H,18,23)(H,19,22)(H,24,25)/t7-,8+,9-,11-,12-/m0/s1
InChIKey JRYQSFOFUFXPTB-RWRJDSDZSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@H](O)C)C(O)=O)[C@@H](N)[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ile-Gln-Thr (CHEBI:158362) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid