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3-Sulfodeoxycholic acid

chemical compound
ChemicalSubstance group_of_stereoisomers Q27160917
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3-Sulfodeoxycholic acid

Summary

3-Sulfodeoxycholic acid is a group of stereoisomers[1].

Key Facts

  • 3-Sulfodeoxycholic acid's instance of is recorded as group of stereoisomers[2].
  • 3-Sulfodeoxycholic acid's CAS Registry Number is recorded as 67030-48-2[3].
  • 3-Sulfodeoxycholic acid's canonical SMILES is recorded as CC(CCC(=O)O)C1CCC2C1C(CC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)O[4].
  • 3-Sulfodeoxycholic acid's InChI is recorded as InChI=1S/C23H38O7S/c1-13(3-8-21(25)26)16-6-7-18-17-5-4-14-11-15(30-31(27,28)29)9-10-23(14,2)19(17)12-20(24)22(16)18/h13-20,22,24H,3-12H2,1-2H3,(H,25,26)(H,27,28,29)/t13-,14-,15-,16-,17+,18+,19+,20+,22?,23+/m1/s1[5].
  • 3-Sulfodeoxycholic acid's InChIKey is recorded as WSBVSABEAXNERB-JNLBVXOESA-N[6].
  • 3-Sulfodeoxycholic acid's chemical formula is recorded as C₂₃H₃₈O₇S[7].
  • 3-Sulfodeoxycholic acid's subclass of is recorded as chemical compound[8].
  • 3-Sulfodeoxycholic acid's ChemSpider ID is recorded as 17216207[9].
  • 3-Sulfodeoxycholic acid's PubChem CID is recorded as 22833601[10].
  • 3-Sulfodeoxycholic acid's ChEBI ID is recorded as 88888[11].
  • 3-Sulfodeoxycholic acid's isomeric SMILES is recorded as CC@H[C@H]1CC[C@@H]2C1C@HOC@H[C@H]1CC[C@@H]2C1C@HO">[12].
  • 3-Sulfodeoxycholic acid's Human Metabolome Database ID is recorded as HMDB0002504[13].
  • 3-Sulfodeoxycholic acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+458.234'}[14].
  • 3-Sulfodeoxycholic acid's SureChEMBL ID is recorded as 29761244[15].
  • 3-Sulfodeoxycholic acid's UniChem compound ID is recorded as 32019799[16].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . ChEBI. Retrieved . wikidata.org.
  3. [4] ↑ . PubChem. Retrieved . wikidata.org.
  4. [5] ↑ . PubChem. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . PubChem. Retrieved . wikidata.org.
  7. [8] ↑ . wikidata.org.
  8. [9] ↑ . Q2311683. Retrieved . wikidata.org.
  9. [10] ↑ . PubChem. Retrieved . wikidata.org.
  10. [11] ↑ . ChEBI. Retrieved . wikidata.org.
  11. [12] ↑ . PubChem. Retrieved . wikidata.org.
  12. [13] ↑ . wikidata.org.
  13. [14] ↑ . PubChem. Retrieved . wikidata.org.
  14. [15] ↑ . wikidata.org.
  15. [16] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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BibTeX @misc{4ortxyz_3-sulfodeoxycholic-acid_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{3-Sulfodeoxycholic acid}}, year = {2026}, url = {https://4ort.xyz/entity/3-sulfodeoxycholic-acid}, note = {Accessed: 2026-05-03}}
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