CHEBI:158642 - Ile-Met-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-Met-Thr
ChEBI ID CHEBI:158642
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H29N3O5S
Net Charge 0
Average Mass 363.470
Monoisotopic Mass 363.18279
InChI InChI=1S/C15H29N3O5S/c1-5-8(2)11(16)14(21)17-10(6-7-24-4)13(20)18-12(9(3)19)15(22)23/h8-12,19H,5-7,16H2,1-4H3,(H,17,21)(H,18,20)(H,22,23)/t8-,9+,10-,11-,12-/m0/s1
InChIKey BKPPWVSPSIUXHZ-OSUNSFLBSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](N)[C@H](CC)C)C(=O)N[C@@H]([C@H](O)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ile-Met-Thr (CHEBI:158642) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoic acid