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Glycocholic Acid

CAT: 1299-RM-G121501-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G121501-01Size:10 mg
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CAS Number
475-31-0
Synonyms
2- ((R) -4- ((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R) -3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl) pentanamido) acetic acid
Molecular Formula
C26H43NO6
Molecular Weight
465.62
Target Alternative Name
Glycocholic acid
Product Name Synonym
2- ((R) -4- ((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R) -3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl) pentanamido) acetic acid

Chemical Information

Glycocholic Acid

Glycocholic acid is a bile acid glycine conjugate having cholic acid as the bile acid component. It has a role as a human metabolite. It is functionally related to a cholic acid and a glycochenodeoxycholic acid. It is a conjugate acid of a glycocholate.

CAS Number475-31-0
PubChem CID10140
IUPAC Name2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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 FormulaC26H43NO6
Molecular Weight465.6
XLogP2.9
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity759
SMILES
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI
InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
InChIKey
RFDAIACWWDREDC-FRVQLJSFSA-N
Chemical Structure
2D Structure
2D structure of Glycocholic Acid
CAS: 475-31-0
CID: 10140
Formula: C26H43NO6
MW: 465.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.6
XLogP32.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass465.30903809
Monoisotopic Mass465.30903809
Topological Polar Surface Area127 Ų
Heavy Atom Count33
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GM1948-5gGlycocholic acid
HY-N1423S1Glycocholic acid-d5

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