CHEBI:4650 - Diprenorphine

ChEBI IDCHEBI:4650
ChEBI NameDiprenorphine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H35NO4
Net Charge0
Average Mass425.569
Monoisotopic Mass425.25661
SMILES[H][C@]1(C(C)(C)O)C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5
InChIInChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
InChIKeyOIJXLIIMXHRJJH-KNLIIKEYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Diprenorphine (CHEBI:4650) is a morphinane alkaloid (CHEBI:25418)
Synonym  Source
DiprenorphineKEGG COMPOUND
Manual XrefsDatabases
C11794KEGG COMPOUND
D07863KEGG DRUG
1906VSDB
Registry NumbersSources
CAS:14357-78-9KEGG COMPOUND