RefMet Compound Details

MW structure38256 (View MW Metabolite Database details)
RefMet nameRetinoyl beta-glucuronide
Systematic name(2S,3S,4S,5R,6S)-6-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESC/C(=C\C=C\C(=C\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)\C)/C=C/C1=C(C)CCCC1(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass476.241020 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC26H36O8View other entries in RefMet with this formula
InChIInChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12
,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1
InChIKeyMTGFYEHKPMOVNE-NEFMKCFNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassRetinoids
Pubchem CID5281877
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Retinoyl beta-glucuronide

Rxn IDKEGG ReactionEnzyme
R02902 Retinoate + UDP-glucuronate <=> all-trans-Retinoyl-beta-glucuronide + UDPRetinoate + UDP-glucuronate <=> all-trans-Retinoyl-beta-glucuronide + UDP

Table of KEGG human pathways containing Retinoyl beta-glucuronide

Pathway IDHuman Pathway# of reactions
hsa00830 Retinol metabolism 1
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