CHEBI:162113 - Gln-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 Gln-Glu-His
ChEBI ID CHEBI:162113
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24N6O7
Net Charge 0
Average Mass 412.403
Monoisotopic Mass 412.17065
InChI InChI=1S/C16H24N6O7/c17-9(1-3-12(18)23)14(26)21-10(2-4-13(24)25)15(27)22-11(16(28)29)5-8-6-19-7-20-8/h6-7,9-11H,1-5,17H2,(H2,18,23)(H,19,20)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t9-,10-,11-/m0/s1
InChIKey LLRJEFPKIIBGJP-DCAQKATOSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Gln-Glu-His (CHEBI:162113) is a peptide (CHEBI:16670)
IUPAC Name
(4S)-5-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid