(E)-2-methyl-6-(6,13,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
PubChem CID: 131752309
Connections displayed (default: 10).
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| Topological Polar Surface Area | 98.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | ITIWNCJDHYQADX-GIJQJNRQSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (-)-2'-Deoxy-5-fluoro-3'-thiacytidine, (-)-2',3'-Dideoxy-5-fluoro-3'-thiacytidine, (-)-FTC, 1-(2-(Hydroxymethyl)oxathiolan-5-yl)-5-fluorocytosine, 2-FTC, 2'-Deoxy-5-fluoro-3'-oxa-4'-thiocytidine, 2'-Deoxy-5-fluoro-3'-thiacytidine, 2',3'-Dideoxy-5-fluoro-3'-thiacytidine, 3'-Thia-2'.3'-dideoxy-5-fluorocytidine, 3b,11a,15a-Trihydroxycycloart-24E-en-26-oic acid, 5-Fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine, 5-Fluoro-2'-deoxy-3'-thiacytidine, 5-Fluoro-2'-deoxy-3'-thiacytidine [FDA 233A], Coviracil, Dotfc, Emtricitabine, Emtricitabine (jan/usan/inn), Emtriva, Emtriva (TN), ETV, FTC, (-)-, Racivir, RCV, Truvada |
| Heavy Atom Count | 35.0 |
| Compound Name | (E)-2-methyl-6-(6,13,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid |
| Description | Constituent of pineapple stems Emtricitabine is a nucleoside reverse transcriptase inhibitor (NRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Emtricitabine helps to block HIV reverse transcriptase, a chemical in your body (enzyme) that is needed for HIV to multiply. Emtricitabine is always used with other anti-HIV medicines to treat people with HIV infection. Emtricitabine may lower the amount of HIV in the blood (viral load). Emtricitabine may also help to increase the number of T cells called CD4 cells. Lowering the amount of HIV in the blood lowers the chance of death or infections that happen when your immune system is weak (opportunistic infections). People taking emtricitabine may still get opportunistic infections or other conditions that happen with HIV infection. Ananasic acid is found in pineapple and fruits. |
| Exact Mass | 488.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 488.35 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 926.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 488.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-methyl-6-(6,13,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C30H48O5/c1-17(8-7-9-18(2)25(34)35)19-14-23(32)28(6)21-11-10-20-26(3,4)22(31)12-13-29(20)16-30(21,29)24(33)15-27(19,28)5/h9,17,19-24,31-33H,7-8,10-16H2,1-6H3,(H,34,35)/b18-9+ |
| Smiles | CC(CC/C=C(\C)/C(=O)O)C1CC(C2(C1(CC(C34C2CCC5C3(C4)CCC(C5(C)C)O)O)C)C)O |
| Xlogp | 5.6 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C30H48O5 |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Source_db:fooddb_chem_all