CHEBI:160999 - Asp-Tyr-Glu

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-Glu
ChEBI ID CHEBI:160999
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H23N3O9
Net Charge 0
Average Mass 425.394
Monoisotopic Mass 425.14343
InChI InChI=1S/C18H23N3O9/c19-11(8-15(25)26)16(27)21-13(7-9-1-3-10(22)4-2-9)17(28)20-12(18(29)30)5-6-14(23)24/h1-4,11-13,22H,5-8,19H2,(H,20,28)(H,21,27)(H,23,24)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1
InChIKey KNDCWFXCFKSEBM-AVGNSLFASA-N
SMILES O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC1=CC=C(O)C=C1
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-Glu (CHEBI:160999) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid