CHEBI:139600 - calcitriol 25-O-(β-D-glucuronide)

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ChEBI Name calcitriol 25-O-(β-D-glucuronide)
ChEBI ID CHEBI:139600
ChEBI ASCII Name calcitriol 25-O-(beta-D-glucuronide)
Definition A steroid glucosiduronic acid that is calcitriol in which the hydroxy hydrogen at position 25 has been replaced by a β-D-glucuronyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C33H52O9
Net Charge 0
Average Mass 592.762
Monoisotopic Mass 592.36113
InChI InChI=1S/C33H52O9/c1-18(8-6-14-32(3,4)42-31-28(38)26(36)27(37)29(41-31)30(39)40)23-12-13-24-20(9-7-15-33(23,24)5)10-11-21-16-22(34)17-25(35)19(21)2/h10-11,18,22-29,31,34-38H,2,6-9,12-17H2,1,3-5H3,(H,39,40)/b20-10+,21-11-/t18-,22-,23-,24+,25+,26+,27+,28-,29+,31+,33-/m1/s1
InChIKey UBEXJJQDSPZXNL-BHNPUNFPSA-N
SMILES C1[C@]2([C@](/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)CCCC(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(=O)O)(C)C)[H])[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in liver (BTO:0000759). See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fat-soluble vitamin (role)
Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin D )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) has functional parent calcitriol (CHEBI:17823)
calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) has role human xenobiotic metabolite (CHEBI:76967)
calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) is a β-D-glucosiduronic acid (CHEBI:15341)
calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) is a D3 vitamins (CHEBI:73558)
calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) is a steroid glucosiduronic acid (CHEBI:26763)
calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) is conjugate acid of calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274)
Incoming calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) is conjugate base of calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600)
IUPAC Name
(6R)-6-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-2-methylheptan-2-yl β-D-glucopyranosiduronic acid
Synonyms Sources
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3-diol-25-yl β-D-glucopyranosiduronic acid ChEBI
1α,25-dihydroxyvitamin D3 25-O-(β-D-glucuronic acid) ChEBI
1α,25-dihydroxyvitamin D3 25-O-(β-D-glucuronide) ChEBI
calcitriol 25-β-glucuronide ChEBI
calcitriol 25-glucuronide ChEBI
calcitriol 25-O--(β-D-glucuronic acid) ChEBI
calcitriol 25-O-glucoronide ChEBI
Citation Waiting for Citations Type Source
18177842 PubMed citation Europe PMC
Last Modified
07 February 2018