CHEBI:139610 - calcidiol 25-O-(β-D-glucuronide)

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ChEBI Name calcidiol 25-O-(β-D-glucuronide)
ChEBI ID CHEBI:139610
ChEBI ASCII Name calcidiol 25-O-(beta-D-glucuronide)
Definition A steroid glucosiduronic acid that is calcidiol in which the hydroxy hydrogen at position 25 has been replaced by a β-D-glucuronyl residue.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
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Formula C33H52O8
Net Charge 0
Average Mass 576.762
Monoisotopic Mass 576.36622
InChI InChI=1S/C33H52O8/c1-19-10-13-23(34)18-22(19)12-11-21-9-7-17-33(5)24(14-15-25(21)33)20(2)8-6-16-32(3,4)41-31-28(37)26(35)27(36)29(40-31)30(38)39/h11-12,20,23-29,31,34-37H,1,6-10,13-18H2,2-5H3,(H,38,39)/b21-11+,22-12-/t20-,23+,24-,25+,26+,27+,28-,29+,31+,33-/m1/s1
InChIKey RQQPJTROOXJOLQ-IBWLQHGESA-N
SMILES C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)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
Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these 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 calcidiol 25-O-(β-D-glucuronide) (CHEBI:139610) has functional parent calcidiol (CHEBI:17933)
calcidiol 25-O-(β-D-glucuronide) (CHEBI:139610) has role human xenobiotic metabolite (CHEBI:76967)
calcidiol 25-O-(β-D-glucuronide) (CHEBI:139610) is a β-D-glucosiduronic acid (CHEBI:15341)
calcidiol 25-O-(β-D-glucuronide) (CHEBI:139610) is a D3 vitamins (CHEBI:73558)
calcidiol 25-O-(β-D-glucuronide) (CHEBI:139610) is a steroid glucosiduronic acid (CHEBI:26763)
calcidiol 25-O-(β-D-glucuronide) (CHEBI:139610) is conjugate acid of calcidiol 25-O-(β-D-glucuronate) (CHEBI:139277)
Incoming calcidiol 25-O-(β-D-glucuronate) (CHEBI:139277) is conjugate base of calcidiol 25-O-(β-D-glucuronide) (CHEBI:139610)
IUPAC Name
(6R)-6-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-2-methylheptan-2-yl β-D-glucopyranosiduronic acid
Synonyms Sources
(3S,5Z,7E)-3-hydroxy-9,10-secocholesta-5,7,10(19)-trien-25-yl β-D-glucopyranosiduronic acid ChEBI
25(OH)D325G ChEBI
25-hydroxyvitamin D3 25-glucuronide ChEBI
25-hydroxyvitamin D3 25-O-(β-D-glucuronic acid) ChEBI
25-hydroxyvitamin D3 25-O-(β-D-glucuronide) ChEBI
calcidiol 25-glucuronide ChEBI
calcidiol 25-O-(β-D-glucuronic acid) ChEBI
calcidiol 25-O-glucoronide ChEBI
Registry Number Type Source
7401257 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24641623 PubMed citation Europe PMC
Last Modified
07 February 2018