CHEBI:164082 - Thr-Lys-Trp

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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 Thr-Lys-Trp
ChEBI ID CHEBI:164082
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)25-16(8-4-5-9-22)19(28)26-17(21(30)31)10-13-11-24-15-7-3-2-6-14(13)15/h2-3,6-7,11-12,16-18,24,27H,4-5,8-10,22-23H2,1H3,(H,25,29)(H,26,28)(H,30,31)/t12-,16+,17+,18+/m1/s1
InChIKey QFCQNHITJPRQTB-IEGACIPQSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCCCN
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 Thr-Lys-Trp (CHEBI:164082) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid