CHEBI:182170 - Dehydrohistidyltryptophyldiketopiperazine

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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 Dehydrohistidyltryptophyldiketopiperazine
ChEBI ID CHEBI:182170
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H15N5O2
Net Charge 0
Average Mass 321.340
Monoisotopic Mass 321.12257
InChI InChI=1S/C17H15N5O2/c23-16-14(5-10-7-19-13-4-2-1-3-12(10)13)21-17(24)15(22-16)6-11-8-18-9-20-11/h1-4,6-9,14,19H,5H2,(H,18,20)(H,21,24)(H,22,23)/b15-6+
InChIKey ITXQTTPWGBFRNK-GIDUJCDVSA-N
SMILES O=C1N/C(/C(=O)NC1CC=2C=3C(NC2)=CC=CC3)=C/C=4NC=NC4
ChEBI Ontology
Outgoing Dehydrohistidyltryptophyldiketopiperazine (CHEBI:182170) has functional parent α-amino acid (CHEBI:33704)
Dehydrohistidyltryptophyldiketopiperazine (CHEBI:182170) is a organonitrogen compound (CHEBI:35352)
Dehydrohistidyltryptophyldiketopiperazine (CHEBI:182170) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3E)-3-(1H-imidazol-5-ylmethylidene)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Manual Xrefs Databases
29215612 ChemSpider
C22164 KEGG COMPOUND
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