CHEBI:164301 - Thr-Trp-Lys

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Thr-Trp-Lys
ChEBI ID CHEBI:164301
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H31N5O5
Net Charge 0
Average Mass 433.509
Monoisotopic Mass 433.23252
InChI InChI=1S/C21H31N5O5/c1-12(27)18(23)20(29)26-17(10-13-11-24-15-7-3-2-6-14(13)15)19(28)25-16(21(30)31)8-4-5-9-22/h2-3,6-7,11-12,16-18,24,27H,4-5,8-10,22-23H2,1H3,(H,25,28)(H,26,29)(H,30,31)/t12-,16+,17+,18+/m1/s1
InChIKey MYNYCUXMIIWUNW-IEGACIPQSA-N
SMILES O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CC=1C=2C(NC1)=CC=CC2
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 Thr-Trp-Lys (CHEBI:164301) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
Manual Xref Database
16574908 ChemSpider
View more database links