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Substance Name: Retinotaurine
RN: 81957-68-8
InChIKey: BOVLETMKONPOKL-PVLPBTDDSA-N

Note

  • Biliary metabolite of all-trans retinoic acid in rat.

Molecular Weight

  • 427.559
 
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Names and Synonyms

Name of Substance

  • Retinotaurine

Synonym

  • 2-(8-(6-(Hydroxymethyl)-2,6-dimethyl-3-oxo-1-cyclohexen-1-yl)-2,6-dimethyl-5,7-octadienamido)ethanesulfonic acid

Systematic Name

  • Ethanesulfonic acid, 2-((8-(6-(hydroxymethyl)-2,6-dimethyl-3-oxo-1-cyclohexen-1-yl)-2,6-dimethyl-1-oxo-5,7-octadienyl)amino)-

Registry Numbers

CAS Registry Number

  • 81957-68-8

System Generated Number

  • 0081957688

Structure Descriptors

InChI

1S/C21H33NO6S/c1-15(6-5-7-16(2)20(25)22-12-13-29(26,27)28)8-9-18-17(3)19(24)10-11-21(18,4)14-23/h6,8-9,16,23H,5,7,10-14H2,1-4H3,(H,22,25)(H,26,27,28)/b9-8+,15-6+

InChIKey

BOVLETMKONPOKL-PVLPBTDDSA-N

Smiles

C(CNC([C@@H](CC\C=C(\C=C\C1=C(C(CC[C@@]1(C)CO)=O)C)C)C)=O)S(=O)(=O)O