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Substance Name: 5,6-Epoxyretinoyl glucuronide
RN: 81164-05-8
InChIKey: BZPOQLONXBJGAZ-YZCFTAJWSA-N

Note

  • 5,6-epoxyretinoic acid metabolite.

Molecular Weight

  • 492.5614
 
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Names and Synonyms

Name of Substance

  • 5,6-Epoxyretinoyl glucuronide

Synonyms

  • 5,6-Epoxyretinoyl beta-glucuronide
  • 5,6-Erg

Systematic Name

  • Retinoic acid, 5,6-epoxy-5,6-dihydro-, beta-D-glucopyranuronosyl ester

Registry Numbers

CAS Registry Number

  • 81164-05-8

System Generated Number

  • 0081164058

Structure Descriptors

InChI

1S/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/b9-6+,13-10+,15-8-,16-14+/t18-,19-,20+,21-,23?/m0/s1

InChIKey

BZPOQLONXBJGAZ-YZCFTAJWSA-N

Smiles

C\C(=C\C=C\C(=C\C(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)\C)\C=C\[C]23=[C](C)(CCCC2(C)C)O3