CHEBI:158780 - Ile-Thr-Glu

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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-Thr-Glu
ChEBI ID CHEBI:158780
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H27N3O7
Net Charge 0
Average Mass 361.395
Monoisotopic Mass 361.18490
InChI InChI=1S/C15H27N3O7/c1-4-7(2)11(16)13(22)18-12(8(3)19)14(23)17-9(15(24)25)5-6-10(20)21/h7-9,11-12,19H,4-6,16H2,1-3H3,(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t7-,8+,9-,11-,12-/m0/s1
InChIKey COWHUQXTSYTKQC-RWRJDSDZSA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](N)[C@H](CC)C)C(=O)N[C@@H](CCC(O)=O)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ile-Thr-Glu (CHEBI:158780) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid