Search MNXref
 Feedback

Dehydrohistidyltryptophyldiketopiperazine

MNXM148200 is deprecated and replaced by MNXM1100738
PropertiesImage
MNX_IDMNXM1100738 Image of MNXM1100738
referencechebi:182170
formulaC17H15N5O2
global charge0
mol weight321.34
InChIKeyITXQTTPWGBFRNK-GIDUJCDVSA-N
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+
SMILESO=C1NC(CC2=CNC3=C2C=CC=C3)C(=O)N/C1=C/C1=CN=CN1
MNX internals
InChI (mnx)InChI=1/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+/t14? Image of MNXM1100738
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:13]2[C:12](=[CH:3]1)[C:10]([CH2:5][CH:14]1[C:16]([OH:23])=[N:22]/[C:15](=[CH:6]/[C:11]3=[CH:8][N:18]=[CH:9][NH:20]3)[C:17]([OH:24])=[N:21]1)=[CH:7][NH:19]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:182170
chebi:182170
ITXQTTPWGBFRNK-GIDUJCDVSA-N 		Dehydrohistidyltryptophyldiketopiperazine
(3E)-3-(1H-imidazol-5-ylmethylidene)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

seed.compound:cpd34180
seedM:cpd34180
ITXQTTPWGBFRNK-GIDUJCDVSA-N 		DHTD
dehydrohistidyltryptophyldiketopiperazine

kegg.compound:C22164
keggC:C22164
ITXQTTPWGBFRNK-GIDUJCDVSA-N 		Dehydrohistidyltryptophyldiketopiperazine

metacyc.compound:CPD-17379
metacycM:CPD-17379
ITXQTTPWGBFRNK-GIDUJCDVSA-N 		dehydrohistidyltryptophyldiketopiperazine
DHTD

keggC:M_C22164
seedM:M_cpd34180 		secondary/obsolete/fantasy identifier