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Substance Name: 7-Oxoglycochenodeoxycholic acid
RN: 75808-00-3
InChIKey: MOZIKWXTNVWDAB-JPNWVCBHSA-N

Molecular Formula

  • C26-H41-N-O5

Molecular Weight

  • 447.6119
 
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Names and Synonyms

Name of Substance

  • 7-Oxoglycochenodeoxycholic acid

Synonym

  • 7-Oxo-GCGCA

Systematic Name

  • Glycine, N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)-

Registry Numbers

CAS Registry Number

  • 75808-00-3

System Generated Number

  • 0075808003

Structure Descriptors

InChI

1S/C26H41NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-20,24,28H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,24+,25+,26-/m1/s1

InChIKey

MOZIKWXTNVWDAB-JPNWVCBHSA-N

Smiles

C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C