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23S,25-dihydroxyvitamin D3
MNXM30699 is deprecated and here replaced by MNXM732974
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM732974 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
3 |
|
formula | C27H44O3 |
charge | 0 |
mass | 416.32905 |
reference | biggM:CE2201 |
InChIKey | JVBPQHSRTHJMLM-VZDUKWQBSA-N |
InChI | InChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/t19-,22+,23+,24-,25+,27-/m1/s1 |
SMILES | C=C1CC[C@H](O)CC1=CC=C1CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@H](O)CC(C)(C)O |
|
Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
Identifier | Description |
bigg.metabolite:CE2201 biggM:CE2201
| 23S,25-dihydroxyvitamin D3
|
biggM:M_CE2201
| secondary/obsolete/fantasy identifier
|