CHEBI:158214 - Ala-His-Glu

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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 Ala-His-Glu
ChEBI ID CHEBI:158214
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H21N5O6
Net Charge 0
Average Mass 355.351
Monoisotopic Mass 355.14918
InChI InChI=1S/C14H21N5O6/c1-7(15)12(22)19-10(4-8-5-16-6-17-8)13(23)18-9(14(24)25)2-3-11(20)21/h5-7,9-10H,2-4,15H2,1H3,(H,16,17)(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t7-,9-,10-/m0/s1
InChIKey GRPHQEMIFDPKOE-HGNGGELXSA-N
SMILES O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)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 )
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ChEBI Ontology
Outgoing Ala-His-Glu (CHEBI:158214) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid