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CHEBI:182170 - Dehydrohistidyltryptophyldiketopiperazine

Default Structure
ChEBI IDCHEBI:182170
ChEBI NameDehydrohistidyltryptophyldiketopiperazine
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SubmitterMetaboLights
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FormulaC17H15N5O2
Net Charge0
Average Mass321.340
Monoisotopic Mass321.12257
SMILESO=C1NC(Cc2cnc3ccccc23)C(=O)N/C1=C/c1cncn1
InChIInChI=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+
InChIKeyITXQTTPWGBFRNK-GIDUJCDVSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
29215612ChemSpider
C22164KEGG COMPOUND