CHEBI:162887 - Glu-Glu-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 Glu-Glu-His
ChEBI ID CHEBI:162887
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H23N5O8
Net Charge 0
Average Mass 413.387
Monoisotopic Mass 413.15466
InChI InChI=1S/C16H23N5O8/c17-9(1-3-12(22)23)14(26)20-10(2-4-13(24)25)15(27)21-11(16(28)29)5-8-6-18-7-19-8/h6-7,9-11H,1-5,17H2,(H,18,19)(H,20,26)(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t9-,10-,11-/m0/s1
InChIKey APHGWLWMOXGZRL-DCAQKATOSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)CCC(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Glu-Glu-His (CHEBI:162887) is a oligopeptide (CHEBI:25676)
IUPAC Name
(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid