EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H44O3 |
| Net Charge | 0 |
| Average Mass | 428.657 |
| Monoisotopic Mass | 428.32905 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)/C=C/C(C)(O)C(C)CO)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C |
| InChI | InChI=1S/C28H44O3/c1-19-8-11-24(30)17-23(19)10-9-22-7-6-15-27(4)25(12-13-26(22)27)20(2)14-16-28(5,31)21(3)18-29/h9-10,14,16,20-21,24-26,29-31H,1,6-8,11-13,15,17-18H2,2-5H3/b16-14+,22-9+,23-10-/t20-,21?,24+,25-,26+,27-,28?/m1/s1 |
| InChIKey | HOAHUGFGTSIPSG-WQYYHPRDSA-N |
| Roles Classification |
|---|
| Biological Role: | fat-soluble vitamin (role) Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (24R)-24,26-dihydroxyvitamin D2 (CHEBI:156157) is a vitamin D (CHEBI:27300) |
| IUPAC Name |
|---|
| (E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-1,3-diol |
| Manual Xrefs | Databases |
|---|---|
| LMST03010050 | LIPID MAPS |