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CHEBI:88776 - Dopamine glucuronide

ChEBI IDCHEBI:88776
ChEBI NameDopamine glucuronide
Stars
DownloadsMolfile
FormulaC14H19NO8
Net Charge0
Average Mass329.305
Monoisotopic Mass329.11107
SMILESNCCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
InChIInChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
InChIKeyCQASRCDNLNMIJY-BYNIDDHOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (8320494)
ChEBI Ontology
Outgoing Relation(s)
Dopamine glucuronide (CHEBI:88776) is a glucosiduronic acid (CHEBI:24302)
Synonyms  Source
(2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidHMDB
4-(2-Aminoethyl)-2-hydroxyphenyl beta-delta-Glucopyranosiduronic acidHMDB
4-(2-Aminoethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronateHMDB
Dopamine-4-O-glucuronideHMDB
4-(2-Aminoethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronic acidHMDB
4-(2-Aminoethyl)-2-hydroxyphenyl beta-delta-glucopyranosiduronateHMDB
Manual XrefsDatabases
Beta-D-GlucuronidesMetaCyc
HMDB0010329HMDB
Registry NumbersSources
CAS:38632-24-5KEGG COMPOUND
Citations