UCSF

ZINC08143774

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 33 No

Popular Name: Glycocholic acid Glycocholic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 207614-05-9 , 475-31-0 , [475-31-0]

Other Names:

3a,7a,12a-Trihydroxy-5b-cholan-24-oylglycine; 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-glycine; 3a,7a,12a-Trihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Cholylglycine; Glycine cholate; Glycocholate; Glycocholic acid; Glycoreductodehydrocholic acid; Glyc

3a,7a,12a-Trihydroxy-5b-cholan-24-oylglycine;3a,7a,12a-Trihydroxy-5b-cholanic acid-24-glycine;3a,7a,12a-Trihydroxy-N-(carboxymethyl)-5b-cholan-24-amide;Cholylglycine;Glycine cholate;Glycocholate;Glycocholic acid;Glycoreductodehydrocholic acid;Glycylcholat

3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine; 475-31-0; C01921; Glycocholate; Glycocholic acid

3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine; 475-31-0; GLYCOCHOLIC_ACID; glycocholate; glycocholic acid

3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine; Glycocholic acid; N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine; N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine; N-choloylglycine; bmse000651

475-31-0; Glycocholic acid; Prestwick_768

BRD-K54771420-001-03-2

CHEBI:11894; CHEBI:42804; CHEBI:5464; CHEBI:20215; CHEBI:24378; CHEBI:29080

Cholylglycine

Glycocholic acid, free acid

LS-187042

LS-187656

MFCD09037360

N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine

N-choloylglycine, monosodium salt; glycocholate sodium; glycocholate sodium salt; glycocholic acid sodium salt; monosodium glycocholic acid; sodium glycocholate

N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine; N-choloylglycine

sodium glycocholate

Sodium glycocholate hydrate, 98%

[(4R)-4-[(1S,2S,5R,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 -6.46 -49.04 4 7 -1 129 464.623 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 210 - 215 Acros Organics
UniProt Database Links AB5C_ARATH; ABCCB_HUMAN ChEBI
PUBCHEM_PATENT_ID EP0032578A1; EP0056781A2; EP0058000A2; EP0088046A2; EP0102769A1; EP0109942A2; EP0109942B1; EP0122036A1; EP0122036B2; EP0123734A1; EP0123735A1; EP0123736A1; EP0124909A2; EP0124934A1; EP0127216A1; EP0127216B1; EP0127217A1; EP0127535A2; EP0133258A2; EP015497 IBM Patent Data
Patent Database Links EP1745791; EP1946746; EP1970051; EP1972341; US2007254859; US2007270358; US2008293728; WO2008144399 ChEBI
Patent Database Links EP1938800; US2007196396; US2007244049; WO2007096906; WO2007103435; WO2007110878 ChEBI
Reactome Database Links REACT_10050; REACT_10072; REACT_10078; REACT_10091; REACT_10101; REACT_10124; REACT_9412; REACT_9468; REACT_9502; REACT_9958; REACT_9965; REACT_9974; REACT_9991 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Digestion of dietary lipid
Recycling of bile acids and salts
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
Transport of organic anions

Analogs ( Draw Identity 99% 90% 80% 70% )