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Substance Name: Glycocholic acid
RN: 475-31-0
UNII: G59NX3I3RT
InChIKey: RFDAIACWWDREDC-FRVQLJSFSA-N

Note

  • The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.

Molecular Formula

  • C26-H43-N-O6

Molecular Weight

  • 465.6267
 

Classification Codes

  • Cholagogues and Choleretics
  • Detergents
  • Gastrointestinal Agents
  • Surface-Active Agents
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Names and Synonyms

Name of Substance

  • Glycocholic acid

MeSH Heading

  • Glycocholic acid

Synonyms

  • EINECS 207-494-9
  • Glycine, N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)-
  • Glycine, N-choloyl-
  • Glycocholic acid
  • N-((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)glycine
  • N-(Carboxymethyl)-3alpha,7alpha,12alpha-trihydroxyglycine cholate
  • N-Choloylglycine
  • UNII-G59NX3I3RT

Systematic Names

  • Glycine, N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)-
  • N-(3-alpha,7-alpha,12-alpha-Trihydroxycholan-24-oyl)glycine

Superlist Name

  • Glycocholic acid

Registry Numbers

CAS Registry Number

  • 475-31-0

FDA UNII

  • G59NX3I3RT

System Generated Number

  • 0000475310

Structure Descriptors

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

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 166.5 deg C   EXP
log P (octanol-water) 1.65 (none)   EXP
Water Solubility 3.3 mg/L 20 EXP
Vapor Pressure 6.48E-20 mm Hg 25 EST
Henry's Law Constant 3.43E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.32E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.