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Glycohyodeoxycholic acid

CAT: 1410-M21219-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M21219-01Size:1 mL x 10 mM in DMSO
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Description
Glycohyodeoxycholic acid is a major metabolite of the secondary bile acid hyodeoxycholic acid in humans.
CAS Number
13042-33-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
449.6
Molecular Formula
C26H43NO5
Notes
Research use only, not for human use.
Receptor
Others

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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