CHEBI:160567 - Asp-Gly-His

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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-Gly-His
ChEBI ID CHEBI:160567
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H17N5O6
Net Charge 0
Average Mass 327.297
Monoisotopic Mass 327.11788
InChI InChI=1S/C12H17N5O6/c13-7(2-10(19)20)11(21)15-4-9(18)17-8(12(22)23)1-6-3-14-5-16-6/h3,5,7-8H,1-2,4,13H2,(H,14,16)(H,15,21)(H,17,18)(H,19,20)(H,22,23)/t7-,8-/m0/s1
InChIKey ZSVJVIOVABDTTL-YUMQZZPRSA-N
SMILES OC(=O)[C@@H](NC(=O)CNC(=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-Gly-His (CHEBI:160567) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[2-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid