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25-hydroxyvitamin D3-26,23-lactol
MNXM150729 is deprecated and here replaced by MNXM729363
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM729363 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
4 |
|
formula | C27H42O4 |
charge | 0 |
mass | 430.30831 |
reference | biggM:CE2203 |
InChIKey | SFOPTSUKUQDFIB-OCPIVRJWSA-N |
InChI | InChI=1S/C27H42O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/t18-,21-,22-,23-,24+,25-,26-,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]1C[C@@](C)(O)[C@H](O)O1 |
|
Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
Identifier | Description |
bigg.metabolite:CE2203 biggM:CE2203
| 25-hydroxyvitamin D3-26,23-lactol
|
biggM:M_CE2203
| secondary/obsolete/fantasy identifier
|