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Substance Name: 3,4,7-Trihydroxycholanoic acid
RN: 117590-81-5
InChIKey: AIHWGPJJINPTRP-GYNBETSRSA-N

Note

  • Found in human bile.

Molecular Weight

  • 408.575
 
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Names and Synonyms

Name of Substance

  • 3,4,7-Trihydroxycholanoic acid

Synonyms

  • 3,4,7-TCOA
  • 3alpha,4beta,7alpha-Trihydroxy-5beta-cholanoic acid

Registry Numbers

CAS Registry Number

  • 117590-81-5

System Generated Number

  • 0117590815

Structure Descriptors

InChI

1S/C24H40O5/c1-13(4-7-20(27)28)14-5-6-15-21-16(8-10-23(14,15)2)24(3)11-9-18(25)22(29)17(24)12-19(21)26/h13-19,21-22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14-,15+,16+,17-,18-,19-,21+,22-,23-,24-/m1/s1

InChIKey

AIHWGPJJINPTRP-GYNBETSRSA-N

Smiles

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