EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:3696 - cidofovir anhydrous
| Formula | C8H14N3O6P |
| Net Charge | 0 |
| Average Mass | 279.189 |
| Monoisotopic Mass | 279.06202 |
| SMILES | Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1 |
| InChI | InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 |
| InChIKey | VWFCHDSQECPREK-LURJTMIESA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. |
| Applications: | photosensitizing agent A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cidofovir anhydrous (CHEBI:3696) has role anti-HIV agent (CHEBI:64946) |
| cidofovir anhydrous (CHEBI:3696) has role antineoplastic agent (CHEBI:35610) |
| cidofovir anhydrous (CHEBI:3696) has role antiviral drug (CHEBI:36044) |
| cidofovir anhydrous (CHEBI:3696) has role photosensitizing agent (CHEBI:47868) |
| cidofovir anhydrous (CHEBI:3696) is a phosphonic acids (CHEBI:26069) |
| cidofovir anhydrous (CHEBI:3696) is a pyrimidone (CHEBI:38337) |
| cidofovir anhydrous (CHEBI:3696) is conjugate acid of cidofovir(1−) (CHEBI:134514) |
| cidofovir anhydrous (CHEBI:3696) is conjugate acid of cidofovir(2−) (CHEBI:530615) |
| Incoming Relation(s) |
| cidofovir dihydrate (CHEBI:59495) has part cidofovir anhydrous (CHEBI:3696) |
| cidofovir(1−) (CHEBI:134514) is conjugate base of cidofovir anhydrous (CHEBI:3696) |
| cidofovir(2−) (CHEBI:530615) is conjugate base of cidofovir anhydrous (CHEBI:3696) |
| IUPAC Name |
|---|
| ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid |
| Synonyms | Source |
|---|---|
| Cidofovir | KEGG COMPOUND |
| Cidofovir anhydrous | KEGG COMPOUND |
| [(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-hydroxymethyl-ethoxymethyl]-phosphonic acid | ChEMBL |
| (S)-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-hydroxypropan-2-yloxy)methylphosphonic acid | ChEMBL |
| 1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine | ChEMBL |
| 1-[(S)-3-hydroxy-2-(phosphonomethoxy)propyl]cytosine | ChEMBL |