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Substance Name: 3,7-Dihydroxy-5,9,17-trioxo-4(5),9(10)-disecoandrosta-1(10)2-dien-4-oic acid
RN: 108050-25-5
InChIKey: UYGPFFZKHPIPIQ-ZWXYVKKQSA-N

Note

  • Accumulated by Pseudomonas mutant strains from bile acids.

Molecular Weight

  • 364.392
 
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Names and Synonyms

Name of Substance

  • 3,7-Dihydroxy-5,9,17-trioxo-4(5),9(10)-disecoandrosta-1(10)2-dien-4-oic acid

Synonym

  • 3,7-Dtdada

Registry Numbers

CAS Registry Number

  • 108050-25-5

System Generated Number

  • 0108050255

Structure Descriptors

InChI

1S/C19H24O7/c1-10(3-5-13(21)18(25)26)14(22)9-15(23)17-11-4-6-16(24)19(11,2)8-7-12(17)20/h3,5,11,15,17,21,23H,4,6-9H2,1-2H3,(H,25,26)/b10-3+,13-5-/t11-,15?,17?,19-/m0/s1

InChIKey

UYGPFFZKHPIPIQ-ZWXYVKKQSA-N

Smiles

C(=C\C=C(\C(C[C@@H]([C@@H]1[C@@H]2CCC([C@@]2(C)CCC1=O)=O)O)=O)C)(\C(=O)O)O