CHEBI:164532 - Trp-Asp-His

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-Asp-His
ChEBI ID CHEBI:164532
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24N6O6
Net Charge 0
Average Mass 456.459
Monoisotopic Mass 456.17573
InChI InChI=1S/C21H24N6O6/c22-14(5-11-8-24-15-4-2-1-3-13(11)15)19(30)26-16(7-18(28)29)20(31)27-17(21(32)33)6-12-9-23-10-25-12/h1-4,8-10,14,16-17,24H,5-7,22H2,(H,23,25)(H,26,30)(H,27,31)(H,28,29)(H,32,33)/t14-,16-,17-/m0/s1
InChIKey MWHOLXNKRKRQQH-XIRDDKMYSA-N
SMILES O=C(N[C@H](C(=O)N[C@@H](CC=1NC=NC1)C(O)=O)CC(O)=O)[C@@H](N)CC=2C=3C(NC2)=CC=CC3
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-Asp-His (CHEBI:164532) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid