EMBL-EBI | Chemical Biology | ChEBI
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CHEBI:751219 - inecalcitol
| Formula | C26H40O3 |
| Net Charge | 0 |
| Average Mass | 400.603 |
| Monoisotopic Mass | 400.29775 |
| SMILES | [H][C@]12CC[C@]([H])([C@H](C)CC#CC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C[C@H](O)C1 |
| InChI | InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1 |
| InChIKey | HHGRMHMXKPQNGF-WNSNRMDMSA-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. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| inecalcitol (CHEBI:751219) has role antineoplastic agent (CHEBI:35610) |
| inecalcitol (CHEBI:751219) is a vitamin D (CHEBI:27300) |
| INN | Source |
|---|---|
| inecalcitol | WHO MedNet |
| Synonym | Source |
|---|---|
| TX-522 | ChEMBL |
| Citations |
|---|