(Q27126310)

1 February 2021

mass

391.285±0 dalton

1 reference

Hyodeoxycholate (English)

6 October 2016

1 reference

C₂₄H₃₉O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

Hyodeoxycholate (English)

6 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

1 reference

Hyodeoxycholate (English)

InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

Hyodeoxycholate (English)

DGABKXLVXPYZII-SIBKNCMHSA-M

6 October 2016

InChIKey

2 references

Hyodeoxycholate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

hyodeoxycholate (English)

6 October 2016

1 reference

Hyodeoxycholate (English)

6 October 2016

Reaxys registry number

5619593

1 reference

hyodeoxycholate (English)

6 October 2016

ChEBI ID

58875

mapping relation type

1 reference