CHEBI:161021 - Asp-Tyr-Trp

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 Asp-Tyr-Trp
ChEBI ID CHEBI:161021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H26N4O7
Net Charge 0
Average Mass 482.493
Monoisotopic Mass 482.18015
InChI InChI=1S/C24H26N4O7/c25-17(11-21(30)31)22(32)27-19(9-13-5-7-15(29)8-6-13)23(33)28-20(24(34)35)10-14-12-26-18-4-2-1-3-16(14)18/h1-8,12,17,19-20,26,29H,9-11,25H2,(H,27,32)(H,28,33)(H,30,31)(H,34,35)/t17-,19-,20-/m0/s1
InChIKey HTSSXFASOUSJQG-IHPCNDPISA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC3=CC=C(O)C=C3
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 Asp-Tyr-Trp (CHEBI:161021) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid