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Substance Name: Isovalerylglucuronide
RN: 88070-93-3
InChIKey: VOJAALAAOYUSCT-ZCLKDUABSA-N

Note

  • Metabolite in urine of patients with isovaleric acidemia.

Molecular Weight

  • 278.255
 
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Names and Synonyms

Name of Substance

  • Isovalerylglucuronide

Synonym

  • Isovaleryl-beta-D-glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(3-methylbutanoate)

Registry Numbers

CAS Registry Number

  • 88070-93-3

System Generated Number

  • 0088070933

Structure Descriptors

InChI

1S/C11H18O8/c1-4(2)3-5(12)18-11-8(15)6(13)7(14)9(19-11)10(16)17/h4,6-9,11,13-15H,3H2,1-2H3,(H,16,17)/t6-,7-,8+,9-,11+/m0/s1

InChIKey

VOJAALAAOYUSCT-ZCLKDUABSA-N

Smiles

O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C(=O)O)OC(CC(C)C)=O