Substance
  • Substance Name: sodium cholate
  • Formula: C24H39NaO5
  • Molecular Weight: 430.6 g/mol
  • Identifiers:
    • inchi: InChI=1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1
    • inchikey: NRHMKIHPTBHXPF-TUJRSCDTSA-M
    • csmiles: CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
    • ismiles: C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]
    • pubchemId: 2734989
    • iupacname: sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
    • casrn: 361-09-1
    • wikidataId: Q25474199
    • chemspiderId: 2016726
    • dsstoxcmpId: DTXCID7013979
    • chemblId: CHEMBL1421383
    • ecnumber: 206-643-5
sodium cholate
Systems and Datasets