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CHEBI:28940 - calciol
| Formula | C27H44O |
| Net Charge | 0 |
| Average Mass | 384.648 |
| Monoisotopic Mass | 384.33922 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C |
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1 |
| InChIKey | QYSXJUFSXHHAJI-YRZJJWOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Biological Roles: | antiviral agent A substance that destroys or inhibits replication of viruses. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. anti-obesity agent Any substance which is used to reduce or control weight. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. 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. |
| Applications: | dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. antipsoriatic A drug used to treat psoriasis. anticonvulsant A drug used to prevent seizures or reduce their severity. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antiparkinson drug A drug used in the treatment of Parkinson's disease. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. nasal decongestant A drug used to relieve nasal congestion in the upper respiratory tract. anti-inflammatory agent Any compound that has anti-inflammatory effects. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. hypoglycemic agent A drug which lowers the blood glucose level. antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. anti-asthmatic agent Any compound that has anti-asthmatic effects. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. bone density conservation agent An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis. anticholesteremic drug A substance used to lower plasma cholesterol levels. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| calciol (CHEBI:28940) has role anti-anaemic agent (CHEBI:75835) |
| calciol (CHEBI:28940) has role anti-asthmatic agent (CHEBI:65023) |
| calciol (CHEBI:28940) has role anti-HIV agent (CHEBI:64946) |
| calciol (CHEBI:28940) has role anti-inflammatory agent (CHEBI:67079) |
| calciol (CHEBI:28940) has role anti-obesity agent (CHEBI:74518) |
| calciol (CHEBI:28940) has role antibacterial agent (CHEBI:33282) |
| calciol (CHEBI:28940) has role anticholesteremic drug (CHEBI:35821) |
| calciol (CHEBI:28940) has role anticonvulsant (CHEBI:35623) |
| calciol (CHEBI:28940) has role antidepressant (CHEBI:35469) |
| calciol (CHEBI:28940) has role antiinfective agent (CHEBI:35441) |
| calciol (CHEBI:28940) has role antimicrobial agent (CHEBI:33281) |
| calciol (CHEBI:28940) has role antineoplastic agent (CHEBI:35610) |
| calciol (CHEBI:28940) has role antiparkinson drug (CHEBI:48407) |
| calciol (CHEBI:28940) has role antipsoriatic (CHEBI:50748) |
| calciol (CHEBI:28940) has role antipsychotic agent (CHEBI:35476) |
| calciol (CHEBI:28940) has role antispasmodic drug (CHEBI:53784) |
| calciol (CHEBI:28940) has role antitubercular agent (CHEBI:33231) |
| calciol (CHEBI:28940) has role antiviral agent (CHEBI:22587) |
| calciol (CHEBI:28940) has role bone density conservation agent (CHEBI:50646) |
| calciol (CHEBI:28940) has role cardiovascular drug (CHEBI:35554) |
| calciol (CHEBI:28940) has role dermatologic drug (CHEBI:50177) |
| calciol (CHEBI:28940) has role geroprotector (CHEBI:176497) |
| calciol (CHEBI:28940) has role human metabolite (CHEBI:77746) |
| calciol (CHEBI:28940) has role hypoglycemic agent (CHEBI:35526) |
| calciol (CHEBI:28940) has role immunosuppressive agent (CHEBI:35705) |
| calciol (CHEBI:28940) has role nasal decongestant (CHEBI:77715) |
| calciol (CHEBI:28940) has role ophthalmology drug (CHEBI:66981) |
| calciol (CHEBI:28940) is a D3 vitamins (CHEBI:73558) |
| calciol (CHEBI:28940) is a hydroxy seco-steroid (CHEBI:36853) |
| calciol (CHEBI:28940) is a seco-cholestane (CHEBI:36818) |
| calciol (CHEBI:28940) is a secondary alcohol (CHEBI:35681) |
| calciol (CHEBI:28940) is a steroid hormone (CHEBI:26764) |
| Incoming Relation(s) |
| (24R)-1α,24-dihydroxy-22-oxavitamin D3 (CHEBI:73923) has functional parent calciol (CHEBI:28940) |
| 1-alpha 23,25,26-trihydroxy vitamin D3 (CHEBI:233815) has functional parent calciol (CHEBI:28940) |
| 1-alpha-23,25-dihydroxy vitamin D3 (CHEBI:233813) has functional parent calciol (CHEBI:28940) |
| 1-alpha-25,26-dihydroxy-vitamin D3 (CHEBI:233814) has functional parent calciol (CHEBI:28940) |
| 1α,23(S),25-trihydroxyvitamin D3 (CHEBI:90970) has functional parent calciol (CHEBI:28940) |
| 1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) has functional parent calciol (CHEBI:28940) |
| 23S,25R-1-alpha-25-hydroxy vitamin D3-26,23-lactol (CHEBI:233816) has functional parent calciol (CHEBI:28940) |
| 5,6-trans-vitamin D3 (CHEBI:145213) has functional parent calciol (CHEBI:28940) |
| alfacalcidol (CHEBI:31186) has functional parent calciol (CHEBI:28940) |
| hydroxycalciol (CHEBI:47042) has functional parent calciol (CHEBI:28940) |
| oxocalciol (CHEBI:47806) has functional parent calciol (CHEBI:28940) |
| tacalcitol (CHEBI:32176) has functional parent calciol (CHEBI:28940) |
| IUPAC Name |
|---|
| (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol |
| Synonyms | Source |
|---|---|
| (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL | PDBeChem |
| (3β,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol | NIST Chemistry WebBook |
| (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol | JCBN |
| 7-dehydrocholesterol, activated | ChEMBL |
| activated 7-dehydrocholesterol | ChemIDplus |
| calciol | JCBN |
| Brand Names | Source |
|---|---|
| Accrete d3 | ChEMBL |
| Aciferol d3 | ChEMBL |
| Adcal-d3 | ChEMBL |
| Biolife vitamin d3 | ChEMBL |
| Cacit d3 | ChEMBL |
| Calceos | ChEMBL |
| UniProt Name | Source |
|---|---|
| calciol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 160 | PPDB |
| 2840 | DrugCentral |
| C05443 | KEGG COMPOUND |
| C05443 | KEGG COMPOUND |
| Cholecalciferol | Wikipedia |
| D00188 | KEGG DRUG |
| DB00169 | DrugBank |
| HMDB0000876 | HMDB |
| LMST03020000 | LIPID MAPS |
| LMST03020001 | LIPID MAPS |
| VD3 | PDBeChem |
| Citations |
|---|