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Substance Name: Tauro 1-hydroxycholic acid
RN: 142608-64-8
InChIKey: ZZBPROOCQLCTDL-OMVCMMTCSA-N

Note

  • Isolated from urine of newborns.

Molecular Weight

  • 531.706
 
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Names and Synonyms

Name of Substance

  • Tauro 1-hydroxycholic acid

Synonym

  • Tauro-CA-1beta-ol

Registry Numbers

CAS Registry Number

  • 142608-64-8

System Generated Number

  • 0142608648

Structure Descriptors

InChI

1S/C26H45NO8S/c1-15(4-5-22(31)27-10-11-36(33,34)35)18-7-9-26(32)23-19(6-8-24(18,26)2)25(3)16(13-20(23)29)12-17(28)14-21(25)30/h15-21,23,28-30,32H,4-14H2,1-3H3,(H,27,31)(H,33,34,35)/t15-,16+,17+,18-,19?,20-,21-,23?,24-,25+,26?/m1/s1

InChIKey

ZZBPROOCQLCTDL-OMVCMMTCSA-N

Smiles

C(CNC(CC[C@H]([C@H]1CC[C@@]2([C@@H]3[C@@H](C[C@@H]4C[C@@H](C[C@H]([C@@]4([C@@H]3CC[C@@]12C)C)O)O)O)O)C)=O)S(=O)(=O)O