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Deoxycholic acid

CAT: 0013-GTR19171303-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171303-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Deoxycholic acid is a secondary bile acid produced by bacterial metabolism of cholate, typically found conjugated to glycine or taurine. It functions as a biological detergent to emulsify dietary lipids for absorption and is widely used in research on lipid metabolism, membrane biology, and as a tool in cell lysis protocols.
CAS Number
83-44-3
Product Name Alternative
Cholorebic, Cholanoic Acid, Cholerebic, Desoxycholic acid, Deoxycholate, Deoxycholic acid, bile acid, EndogenousMetabolite, Endogenous Metabolite, DCA, GPCR19, GPBAR1, G-protein coupled receptor 19, G protein-coupled bile acid receptor, G protein-coupled Bile Acid Receptor 1, Inhibitor, inhibit, TGR5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.35% (May vary between batches)
Solubility
DMSO:145 mg/mL (369.36 mM) ; Ethanol:56 mg/mL (142.65 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) [C@] (CC3) (C[C@H] (O) CC4) [H]) (C[C@@H]1O) [H]) [H]) (CC[C@@]2 ([C@@H] (CCC (O) =O) C) [H]) [H]
Molecular Formula
C24H40O4
Molecular Weight
392.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deoxycholic Acid

Deoxycholic acid is a bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. It has a role as a human blood serum metabolite. It is a C24-steroid, a dihydroxy-5beta-cholanic acid and a bile acid. It is a conjugate acid of a deoxycholate.

CAS Number83-44-3
PubChem CID222528
IUPAC Name(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoic acid
Molecular FormulaC24H40O4
Molecular Weight392.6
XLogP4.9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity605
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey
KXGVEGMKQFWNSR-LLQZFEROSA-N
Chemical Structure
2D Structure
2D structure of Deoxycholic Acid
CAS: 83-44-3
CID: 222528
Formula: C24H40O4
MW: 392.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.6
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass392.29265975
Monoisotopic Mass392.29265975
Topological Polar Surface Area77.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity605
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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CatalogName
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