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Substance Name: 3-Dehydrolithocholylglycine
RN: 84573-10-4
InChIKey: SFARYJOHXPGZSY-PKQKRZTHSA-N

Molecular Formula

  • C27-H43-N-O4

Molecular Weight

  • 445.64
 
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Names and Synonyms

Name of Substance

  • 3-Dehydrolithocholylglycine

Systematic Name

  • Glycine, N-((5beta)-3,24-dioxocholan-24-yl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 84573-10-4

System Generated Number

  • 0084573104

Structure Descriptors

InChI

1S/C27H43NO4/c1-17(5-10-24(30)28-16-25(31)32-4)21-8-9-22-20-7-6-18-15-19(29)11-13-26(18,2)23(20)12-14-27(21,22)3/h17-18,20-23H,5-16H2,1-4H3,(H,28,30)/t17-,18-,20?,21-,22?,23?,26+,27-/m1/s1

InChIKey

SFARYJOHXPGZSY-PKQKRZTHSA-N

Smiles

C(CNC(CC[C@H]([C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(CC[C@@]4([C@@H]3CC[C@@]12C)C)=O)C)=O)(=O)OC