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3alpha,7alpha,12alpha,25-tetrahydroxy-5beta-cholestane-24-one
MNXM151029 is deprecated and here replaced by MNXM729385
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM729385 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
2 |
|
| formula | C27H46O5 |
| charge | 0 |
| mass | 450.33452 |
| reference | biggM:CE1274 |
| InChIKey | CFVCOEMVLNMDAX-FHKVEWMTSA-N |
| InChI | InChI=1S/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-21,23-24,28-29,31-32H,6-14H2,1-5H3/t15?,16?,17?,18-,19?,20?,21?,23?,24?,26+,27-/m1/s1 |
| SMILES | CC(CCC(=O)C(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O)CC[C@]4(C)C3CC(O)[C@@]21C |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
bigg.metabolite:CE1274
biggM:CE1274
| 3alpha,7alpha,12alpha,25-tetrahydroxy-5beta-cholestane-24-one
|
| biggM:M_CE1274
| secondary/obsolete/fantasy identifier
|
