Compound Summary
Compound Information
(5alpha)-3-oxocholestan-26-oic acid
Compound Name: | (5alpha)-3-oxocholestan-26-oic acid |
Compound CID: | 86289630 |
Synonyms: | (5alpha)-3-oxocholestan-26-oic acid dafachronic acid 3-keto-5a-cholestanoic acid CHEBI:78701 3-oxo-5alpha-cholestan-26-oic acid More... |
Iupac Name: | (6R)-6-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid |
InChI: | 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)/t17-,18?,19+,21+,22-,23+,24+,26+,27-/m1/s1 |
InChIKey: | VJABJEQGFJMMDO-DHOKGTGGSA-N |
Canonical Smiles: | CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C |
Isomeric Smiles: | C[C@H](CCCC(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 |
Molecular Weight: | 416.6 |
Molecular Formula: | C27H44O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(5alpha)-3-oxocholestan-26-oic acid
Molecular Weight: | 416.6 |
Molecular Formula: | C27H44O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 30 |
Complexity: | 671 |
Synonyms
(5alpha)-3-oxocholestan-26-oic acid
| (5alpha)-3-oxocholestan-26-oic acid | (5alpha)-3-oxocholestan-26-oic acid |
|---|---|
(5alpha)-3-oxocholestan-26-oic acid |
dafachronic acid |
3-keto-5a-cholestanoic acid |
CHEBI:78701 |
3-oxo-5alpha-cholestan-26-oic acid |
Q27147920 |
Experimental Data
(5alpha)-3-oxocholestan-26-oic acid
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 0.1 | umol/L | 23.44 | S | N2 | 26691751 | Active |
Experimental Data Visualization
(5alpha)-3-oxocholestan-26-oic acid
Statistics Data
(5alpha)-3-oxocholestan-26-oic acid
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 23.44 | 1 | 1 |
Statistics Data Visualization
(5alpha)-3-oxocholestan-26-oic acid
