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Details:
Synonyms |
Value |
Source |
3a,7a,12a-Trihydroxy-5b-cholan-24-oylglycine |
HMDB |
3a,7a,12a-Trihydroxy-5b-cholanic acid-24-glycine |
HMDB |
3a,7a,12a-Trihydroxy-N-(carboxymethyl)-5b-cholan-24-amide |
HMDB |
Cholylglycine |
HMDB |
Glycine cholate |
HMDB |
Glycocholate |
HMDB |
Glycoreductodehydrocholic acid |
HMDB |
Glycylcholate |
HMDB |
Glycylcholic acid |
HMDB |
N-(Carboxymethyl)-3a,7a,12a-trihydroxy-5b-cholan-24-amide |
HMDB |
N-Choloyl-glycine |
HMDB |
N-Choloylglycine |
HMDB |
Glycocholic acid, sodium salt |
MeSH |
Glycocholate sodium |
MeSH |
|
Description:Sodium glycocholate is used in foodstuffs as a detergent to solubilize fats for absorption and is itself absorbe
Average Molecular Weight:465.6227
Monoisotopic Molecular Weight:465.309038113
IUPAC Name:2-[(4R)-4-[(1S,2S,5R,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadecan-14-yl]pentanamido]acetic acid
Traditional Name:[(4R)-4-[(1S,2S,5R,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadecan-14-yl]pentanamido]acetic acid
CAS Registry Number:863-57-0
SMILES:CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChI Identifier: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)
InChI Key:RFDAIACWWDREDC-UHFFFAOYSA-N
Computed Properties
Property Name |
Property Value |
Molecular Weight |
487.613 g/mol |
Hydrogen Bond Donor Count |
4 |
Hydrogen Bond Acceptor Count |
6 |
Rotatable Bond Count |
6 |
Complexity |
766 |
Topological Polar Surface Area |
130 A^2 |
Monoisotopic Mass |
487.291 g/mol |
Exact Mass |
487.291 g/mol |
Compound Is Canonicalized |
true |
Formal Charge |
0 |
Heavy Atom Count |
34 |
Defined Atom Stereocenter Count |
11 |
Undefined Atom Stereocenter Count |
0 |
Defined Bond Stereocenter Count |
0 |
Undefined Bond Stereocenter Count |
0 |
Isotope Atom Count |
0 |
Covalently-Bonded Unit Count |
2 |