Molecule: cholate
A bile acid anion that is the conjugate base of cholic acid.
Synonyms for cholate :
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate
cholate
Molecular Formula: C24H39O5
Molecular wt: 407.56346 g/mole
Charge: -1
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O
InChIKey: BHQCQFFYRZLCQQ-OELDTZBJSA-M
InChI=1S/C24H40O5/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)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1