EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73356 - DPDPE

ChEBI IDCHEBI:73356
ChEBI NameDPDPE
Stars
DefinitionA heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond.
Last Modified2 May 2013
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC30H39N5O7S2
Net Charge0
Average Mass645.804
Monoisotopic Mass645.22909
SMILESCC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O
InChIInChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
InChIKeyMCMMCRYPQBNCPH-WMIMKTLMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
delta-opioid receptor agonist  A compound that exhibits agonist activity at the δ-opioid receptor.
Application:
delta-opioid receptor agonist  A compound that exhibits agonist activity at the δ-opioid receptor.
ChEBI Ontology
Outgoing Relation(s)
DPDPE (CHEBI:73356) has role δ-opioid receptor agonist (CHEBI:64054)
DPDPE (CHEBI:73356) is a heterodetic cyclic peptide (CHEBI:24533)
IUPAC Name 
(4S,7S,13S)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(L-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Synonyms  Source
D-penicillamine-(2,5)-enkephalinChEBI
2,5-Pen-enkephalinKEGG COMPOUND
L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-D-valine, cyclic (2-5)-disulfideChemIDplus
(D-Pen2,D-Pen5)-EnkephalinChemIDplus
H-Tyr-cyclo-(D-Pen-Gly-Phe-D-Pen)-OHChEBI
cyclo-[D-Pen2,5]-enkephalinChEBI
Manual XrefsDatabases
C20164KEGG COMPOUND
Registry NumbersSources
Reaxys:3586429Reaxys
CAS:88373-73-3ChemIDplus
Citations