EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:191263 - 25-azavitamin D3
| Formula | C26H43NO |
| Net Charge | 0 |
| Average Mass | 385.636 |
| Monoisotopic Mass | 385.33446 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCCN(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@H](O)CCC1=C |
| InChI | InChI=1S/C26H43NO/c1-19-10-13-23(28)18-22(19)12-11-21-9-6-16-26(3)24(14-15-25(21)26)20(2)8-7-17-27(4)5/h11-12,20,23-25,28H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,26-/m1/s1 |
| InChIKey | ULNCGRJUZSDCCI-SHLFXTCDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | hTERT-RPE1 cell (BTO:0004790) | MetaboLights (MTBLS682) |
| 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) |
| 25-azavitamin D3 (CHEBI:191263) is a vitamin D (CHEBI:27300) |
| IUPAC Name |
|---|
| (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5-(dimethylamino)pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| Manual Xrefs | Databases |
|---|---|
| 4947568 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:63819-61-4 | ChemIDplus |