RefMet Compound Details

RefMet IDRM0118499
MW structure40895 (View MW Metabolite Database details)
RefMet nameRetinyl beta-glucuronide
Systematic name(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 acid
SMILESC/C(=C/C=C/C(=CCO[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 mass462.261754 (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
FormulaC26H38O7View other entries in RefMet with this formula
InChI
InChIKeyIYHVRAMISWFIRU-GMBUFXMQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassRetinoids
Pubchem CID6440956
ChEBI ID88739
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

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

Rxn IDKEGG ReactionEnzyme
R01383 UDP-glucuronate + ROH <=> UDP + beta-D-GlucuronosideUDPglucuronate beta-D-glucuronosyltransferase (acceptor-unspecific)
R01478 H2O + beta-D-Glucuronoside <=> D-Glucuronate + Alcoholbeta-D-glucuronoside glucuronosohydrolase

Table of KEGG human pathways containing Retinyl beta-glucuronide

Pathway IDHuman Pathway# of reactions
hsa00040 Pentose and glucuronate interconversions 2
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