| Name |
Deoxycholic acid
3alpha,12alpha-Dihydroxy-5.beta.-cholanoic acid |
| Formula |
C24H40O |
| Mw |
344.3079159 |
| CAS RN |
83-44-3 |
| C_ID |
C00030117
, 
|
| InChIKey |
KXGVEGMKQFWNSR-TTYWQTGHNA-N |
| InChICode |
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)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| SMILES |
C1[C@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@]([C@H](C1)O)([C@H](CC2)[C@@H](CCC(=O)O)C)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Bovidae | Bos taurus domesticus GMELIN  | Ref. |
| Animalia | Hominidae | Homo sapiens (Urine) | Ref. |
| Bacteria | Myroidaceae | Myroides sp. SM1 | Ref. |
| Fungi | Trichocomaceae | Penicillium sp. SA29 | Ref. |
| - | - | Selenarctos thibetanus | Ref. |
|
|
zoom in
| Organism | Homo sapiens (Urine) |
|---|
| Reference | PLoS ONE., 2013, 8(9), e73076 |
|---|
|
