CHEBI:160601 - Asp-His-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-His-Glu
ChEBI ID CHEBI:160601
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H21N5O8
Net Charge 0
Average Mass 399.360
Monoisotopic Mass 399.13901
InChI InChI=1S/C15H21N5O8/c16-8(4-12(23)24)13(25)20-10(3-7-5-17-6-18-7)14(26)19-9(15(27)28)1-2-11(21)22/h5-6,8-10H,1-4,16H2,(H,17,18)(H,19,26)(H,20,25)(H,21,22)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
InChIKey CRNKLABLTICXDV-GUBZILKMSA-N
SMILES O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC=1NC=NC1
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-His-Glu (CHEBI:160601) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid