EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:1445 - 3-Acetylmorphine

ChEBI IDCHEBI:1445
ChEBI Name3-Acetylmorphine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILES[H][C@@]12C=C[C@H](O)[C@@H]3Oc4c(OC(C)=O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3-6,12-14,18,22H,7-9H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
InChIKeyGMLREHXYJDLZOU-LEPYJNQMSA-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)
3-Acetylmorphine (CHEBI:1445) is a morphinane alkaloid (CHEBI:25418)
Synonyms  Source
3-AcetylmorphineKEGG COMPOUND
O(3)-MonoacetylmorphineKEGG COMPOUND
Manual XrefsDatabases
C11778KEGG COMPOUND
Registry NumbersSources
CAS:5140-28-3KEGG COMPOUND