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CHEBI:89302 - Triclosan glucuronide

ChEBI IDCHEBI:89302
ChEBI NameTriclosan glucuronide
Stars
DownloadsMolfile
FormulaC18H15Cl3O8
Net Charge0
Average Mass465.669
Monoisotopic Mass463.98325
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H15Cl3O8/c19-7-1-3-10(9(21)5-7)27-11-4-2-8(20)6-12(11)28-18-15(24)13(22)14(23)16(29-18)17(25)26/h1-6,13-16,18,22-24H,(H,25,26)/t13-,14-,15+,16-,18+/m0/s1
InChIKeyDNYVWBJVOYZRCX-RNGZQALNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (10722890)
blood (UBERON:0000178) PubMed (22173800)
ChEBI Ontology
Outgoing Relation(s)
Triclosan glucuronide (CHEBI:89302) is a glycoside (CHEBI:24400)
Synonyms  Source
Triclosan O-beta-D-GlucuronideHMDB
(2S,3S,4S,5R,6S)-6-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidHMDB
Irgasan DP 300 GlucuronideHMDB
5-Chloro-2-(2,4-dichlorophenoxy)phenyl β-D-Glucopyranosiduronic AcidHMDB
Manual XrefsDatabases
HMDB0061386HMDB
Registry NumbersSources
CAS:63156-12-7KEGG COMPOUND
Citations