(25S)-dafachronate (Q27139718)

CHEBI:71568 (English)

7 October 2016

chemical formula

C₂₇H₄₃O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCCC(C)C(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C

1 reference

CHEBI:71568 (English)

7 October 2016

isomeric SMILES

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

1 reference

CHEBI:71568 (English)

InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17-19,21-24H,5-16H2,1-4H3,(H,29,30)/p-1/t17-,18+,19+,21+,22-,23+,24+,26+,27-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:71568 (English)

VJABJEQGFJMMDO-SVXMJBLUSA-M

7 October 2016

InChIKey

2 references

CHEBI:71568 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5alpha,25S)-3-Oxocholestan-26-oate (English)

7 October 2016

1 reference

CHEBI:71568 (English)

7 October 2016

ChEBI ID

71568

mapping relation type

1 reference