(Q27161404)

1b,3a,12a-trihydroxy-5b-cholan-24-oic acid (English)

9 October 2016

chemical formula

C₂₄H₄₀O₅

1 reference

1b,3a,12a-trihydroxy-5b-cholan-24-oic acid (English)

9 October 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(C(CC(C4)O)O)C)O)C

1 reference

1b,3a,12a-trihydroxy-5b-cholan-24-oic acid (English)

9 October 2016

isomeric SMILES

C[C@H](CCC(=O)O)C1CCC2[C@@]1([C@H](CC3C2CCC4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)C

1 reference

1b,3a,12a-trihydroxy-5b-cholan-24-oic acid (English)

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

9 October 2016

Identifiers

InChI

1 reference

1b,3a,12a-trihydroxy-5b-cholan-24-oic acid (English)

DAKYVYUAVGJDRK-LFMRMFNLSA-N

9 October 2016

InChIKey

2 references

1b,3a,12a-trihydroxy-5b-cholan-24-oic acid (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1b,3a,12a-Trihydroxy-5b-cholanoic acid (English)

9 October 2016

1 reference

1b,3a,12a-trihydroxy-5b-cholan-24-oic acid (English)

9 October 2016

ChEBI ID

89219

mapping relation type

1 reference