EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184508 - Hydromorphone-3-sulphate

ChEBI IDCHEBI:184508
ChEBI NameHydromorphone-3-sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H19NO6S
Net Charge0
Average Mass365.407
Monoisotopic Mass365.09331
SMILESCN1CCC23c4c5ccc(OS(=O)(=O)O)c4OC2C(=O)CCC3C1C5
InChIInChI=1S/C17H19NO6S/c1-18-7-6-17-10-3-4-12(19)16(17)23-15-13(24-25(20,21)22)5-2-9(14(15)17)8-11(10)18/h2,5,10-11,16H,3-4,6-8H2,1H3,(H,20,21,22)
InChIKeyXXRHORKOBJFKDL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Hydromorphone-3-sulphate (CHEBI:184508) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
(3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinolin-9-yl) hydrogen sulate
Manual XrefsDatabases
HMDB0060825HMDB
35031796ChemSpider