(Q27109802)

Sodium deoxycholate (English)

3beta,12alpha-dihydroxy-5beta-cholan-24-oate

5 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₄H₃₉O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

1 reference

Sodium deoxycholate (English)

5 October 2016

isomeric SMILES

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

1 reference

Sodium deoxycholate (English)

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

5 October 2016

Identifiers

InChI

1 reference

Sodium deoxycholate (English)

KXGVEGMKQFWNSR-LLQZFEROSA-M

5 October 2016

InChIKey

2 references

Sodium deoxycholate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

7-Deoxycholate (English)

5 October 2016

1 reference

Sodium deoxycholate (English)

5 October 2016

Reaxys registry number

3629953

1 reference

deoxycholate (English)

5 October 2016

Gmelin number

1774558

0 references

ChEBI ID

23614

mapping relation type

1 reference

https://www.swisslipids.org/#/downloads

deoxycholate (English)

5 October 2016

1 reference

1 reference