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CHEBI:88739 - Retinyl beta-glucuronide

Default Structure
ChEBI IDCHEBI:88739
ChEBI NameRetinyl beta-glucuronide
Stars
DownloadsMolfile
FormulaC26H38O7
Net Charge0
Average Mass462.583
Monoisotopic Mass462.26175
SMILESCC1=C(/C=C/C(C)=C\C=C\C(C)=C/CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1
InChIInChI=1S/C26H38O7/c1-16(11-12-19-18(3)10-7-14-26(19,4)5)8-6-9-17(2)13-15-32-25-22(29)20(27)21(28)23(33-25)24(30)31/h6,8-9,11-13,20-23,25,27-29H,7,10,14-15H2,1-5H3,(H,30,31)/b9-6+,12-11+,16-8-,17-13-/t20-,21-,22+,23-,25+/m0/s1
InChIKeyIYHVRAMISWFIRU-GMBUFXMQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (2756924)
ChEBI Ontology
Outgoing Relation(s)
Retinyl beta-glucuronide (CHEBI:88739) is a retinoid (CHEBI:26537)
Synonyms  Source
(2S,3S,4S,5R,6R)-6-{[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidHMDB
Retinyl b-glucuronideHMDB
RetinylglucuronideHMDB
Manual XrefsDatabases
Beta-D-GlucuronidesMetaCyc
HMDB0010340HMDB
Citations