EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191140 - Tapentadol-beta-d-glucuronide

ChEBI IDCHEBI:191140
ChEBI NameTapentadol-beta-d-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31NO7
Net Charge0
Average Mass397.468
Monoisotopic Mass397.21005
SMILESCC[C@@H](c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)[C@@H](C)CN(C)C
InChIInChI=1S/C20H31NO7/c1-5-14(11(2)10-21(3)4)12-7-6-8-13(9-12)27-20-17(24)15(22)16(23)18(28-20)19(25)26/h6-9,11,14-18,20,22-24H,5,10H2,1-4H3,(H,25,26)/t11-,14+,15-,16-,17+,18-,20+/m0/s1
InChIKeyCTYJDHSTNLOUMT-PJOQTPGLSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Tapentadol-beta-d-glucuronide (CHEBI:191140) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
52084065ChemSpider
Registry NumbersSources
CAS:1300037-86-8ChemIDplus