6alpha-Glucuronosylhyodeoxycholate(1-) (Q27105589)

6alpha-Glucuronosylhyodeoxycholate (English)

hyodeoxycholic acid 6-O-(β-D-glucuronide)

5 October 2016

conjugate acid

0 references

chemical formula

C₃₀H₄₇O₁₀⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C

1 reference

6alpha-Glucuronosylhyodeoxycholate (English)

5 October 2016

isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C

1 reference

6alpha-Glucuronosylhyodeoxycholate (English)

InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

6alpha-Glucuronosylhyodeoxycholate (English)

MAXKTGFGXCXJFY-HHUAQUJWSA-M

5 October 2016

InChIKey

1 reference

6alpha-Glucuronosylhyodeoxycholate (English)

5 October 2016

1 reference

(3alpha,5beta,6alpha)-3,24-Dihydroxy-24-oxocholan-6-yl beta-D-glucopyranosiduronate (English)

5 October 2016

2 references

6alpha-Glucuronosylhyodeoxycholate (English)

matched by identifier from

5 October 2016

InChIKey

MAXKTGFGXCXJFY-HHUAQUJWSA-M

1 reference

1 reference

6alpha-Glucuronosylhyodeoxycholate (English)