EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186523 - Metoclopramide N4-glucuronide

ChEBI IDCHEBI:186523
ChEBI NameMetoclopramide N4-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30ClN3O8
Net Charge0
Average Mass475.926
Monoisotopic Mass475.17214
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC
InChIInChI=1S/C20H30ClN3O8/c1-4-24(5-2)7-6-22-18(28)10-8-11(21)12(9-13(10)31-3)23-19-16(27)14(25)15(26)17(32-19)20(29)30/h8-9,14-17,19,23,25-27H,4-7H2,1-3H3,(H,22,28)(H,29,30)/t14-,15-,16+,17-,19+/m0/s1
InChIKeySOHPSIDRULBFFB-YUAHOQAQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Metoclopramide N4-glucuronide (CHEBI:186523) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(2S,3S,4S,5R,6R)-6-[2-chloro-4-[2-(diethylamino)ethylcarbamoyl]-5-methoxyanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
57530449ChemSpider
Registry NumbersSources
CAS:27313-54-8ChemIDplus