CHEBI:164884 - Trp-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 Trp-Trp-Lys
ChEBI ID CHEBI:164884
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H34N6O4
Net Charge 0
Average Mass 518.618
Monoisotopic Mass 518.26415
InChI InChI=1S/C28H34N6O4/c29-12-6-5-11-24(28(37)38)33-27(36)25(14-18-16-32-23-10-4-2-8-20(18)23)34-26(35)21(30)13-17-15-31-22-9-3-1-7-19(17)22/h1-4,7-10,15-16,21,24-25,31-32H,5-6,11-14,29-30H2,(H,33,36)(H,34,35)(H,37,38)/t21-,24-,25-/m0/s1
InChIKey XXJDYWYVZBHELV-TUSQITKMSA-N
SMILES O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)CC=3C=4C(NC3)=CC=CC4
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 Trp-Trp-Lys (CHEBI:164884) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
Manual Xref Database
16575296 ChemSpider
View more database links