CHEBI:166216 - Val-His-Asp

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 Val-His-Asp
ChEBI ID CHEBI:166216
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H23N5O6
Net Charge 0
Average Mass 369.378
Monoisotopic Mass 369.16483
InChI InChI=1S/C15H23N5O6/c1-7(2)12(16)14(24)19-9(3-8-5-17-6-18-8)13(23)20-10(15(25)26)4-11(21)22/h5-7,9-10,12H,3-4,16H2,1-2H3,(H,17,18)(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t9-,10-,12-/m0/s1
InChIKey WJVLTYSHNXRCLT-NHCYSSNCSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](N)C(C)C
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 Val-His-Asp (CHEBI:166216) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid