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Glycohyodeoxycholic acid

CAT: 0013-GTR19167261-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19167261-01Size:1 ml x 10 mM (in DMSO)
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Description
Glycohyodeoxycholic acid is a key conjugated metabolite derived from the secondary bile acid hyodeoxycholic acid. It serves as a valuable research tool for studying bile acid metabolism, receptor interactions (e.g., FXR, TGR5), and their roles in metabolic and gastrointestinal research using in vitro and in vivo models.
CAS Number
13042-33-6
Product Name Alternative
EndogenousMetabolite, hyodeoxycholic, gallstone, glycohyodeoxycholic acid, Inhibitor, inhibit, metabolite, cholesterol, Endogenous Metabolite, acid, 7α-hydroxylase, Bile, preventative
Field of Research
Metabolism Research
Purity
99.33% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.45 mM) ; DMSO:250 mg/mL (556.03 mM)
Smiles
[H][C@@]12CC[C@H] ([C@H] (C) CCC (=O) NCC (O) =O) [C@@]1 (C) CC[C@@]1 ([H]) [C@@]2 ([H]) C[C@H] (O) [C@]2 ([H]) C[C@H] (O) CC[C@]12C
Molecular Formula
C26H43NO5
Molecular Weight
449.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Glycohyodeoxycholic acid

Glycohyodeoxycholic acid is a bile acid glycine conjugate.

CAS Number13042-33-6
PubChem CID114611
IUPAC Name2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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]amino]acetic acid
Molecular FormulaC26H43NO5
Molecular Weight449.6
XLogP4.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity727
SMILES
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1
InChIKey
SPOIYSFQOFYOFZ-BRDORRHWSA-N
Chemical Structure
2D Structure
2D structure of Glycohyodeoxycholic acid
CAS: 13042-33-6
CID: 114611
Formula: C26H43NO5
MW: 449.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.6
XLogP34.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass449.31412347
Monoisotopic Mass449.31412347
Topological Polar Surface Area107 Ų
Heavy Atom Count32
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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