Lithocholic acid 3-o-glucuronide

cas: 75239-91-7 — see every product listed under this CAS number, including other names

Lithocholic acid 3-o-glucuronide (CAS 75239-91-7) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberADA23991-10mg
cas75239-91-7
size10mg
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Available pack sizes

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properties

categoryLife Sciences
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Lithocholic acid 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is lithocholic acid having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a human urinary metabolite and a rat metabolite. It is a beta-D-glucosiduronic acid, a steroid glucosiduronic acid and a dicarboxylic acid. It is functionally related to a lithocholic acid. It is a conjugate acid of a lithocholate 3-O-(beta-D-glucuronide)(2-).

Source: ChEBI

Identity
Molecular formulaC30H48O9
Molecular weight552.7 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyGIQXKAXWRLHLDD-VYACWCJYSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C

Computed by PubChem (NCBI)

Synonyms: Lithocholic acid 3-glucuronide, Lithocholate 3-O-glucuronide, Lithocholate 3-O-beta-D-glucuronide, Lithocholic acid glucuronide, 3alpha-hydroxy-5beta-cholan-24-oic acid 3-beta-D-glucopyranuronoside, 3alpha-(beta-D-glucopyranuronosyloxy)-5beta-cholan-24-oic acid, Lithocholic acid 3-O-glucuronide, 24-hydroxy-24-oxo-5beta-cholan-3alpha-yl beta-D-glucopyranosiduronic acid, lithocholic acid 3-beta-glucuronide, lithocholic acid 3-beta-D-glucuronide
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyoxane-2-carboxylic acid C30H48O9

Also listed as

Lithocholic Acid 3-O-Glucuronide, >95% (HPLC) TRC CAS 75239-91-7