2'-Deoxyadenosine
PubChem CID: 13730
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| Compound Synonyms | 2'-deoxyadenosine, deoxyadenosine, 958-09-8, 2-Deoxyadenosine, Adenyldeoxyriboside, Adenine deoxyribose, ADENOSINE, 2'-DEOXY-, (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol, Desoxyadenosine, Adenine deoxy nucleoside, Adenine deoxyribonucleoside, CCRIS 1782, CHEBI:17256, AI3-52383, (2R,3S,5R)-5-(6-Aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, 2-deoxy-adenosine, EINECS 213-488-7, NSC 83258, NSC 141848, NSC 143510, BRN 0091015, P582C98ULC, beta-D-erythro-Pentofuranoside, adenine-9 2-deoxy-, (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, 9H-Purin-6-amine, 9-(2-deoxy-beta-D-ribofuranosyl)-, Adenosine, 2'-deoxy,, MFCD00005754, Adenine deoxyriboside, 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)adenine, 9H-Purin-6-amine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-, DTXSID10883624, 4-26-00-03589 (Beilstein Handbook Reference), 2'-dA, 9-(2-deoxy-beta-D-ribofuranosyl)-9H-purin-6-amine, NSC-83258, NSC-141848, NSC-143510, 2'-DEOXYADENOSINE [USP IMPURITY], 9-(2-Deoxy-b-D-erythro-pentofuranosyl)adenine, adenine-9 2-deoxy-b-D-erythro-Pentofuranoside, desoxyadenosin, Adenine-9 2-deoxy-beta-D-erythro-Pentofuranoside, 9-(2-deoxy-b-D-ribofuranosyl)-9H-Purin-6-amine, 9-(2-Deoxy-.beta.-D-erythro-pentofuranosyl)adenine, 9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)adenine, adenine-9 2-deoxy-beta-delta-erythro-Pentofuranoside, 2'-Deoxyformycin A, 9-(2-deoxy-beta-delta-ribofuranosyl)-9H-Purin-6-amine, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-b-D-Ribofuranose, 9-(2-Deoxy-, A-D-threo-pentofuranosyl)-9H-purin-6-amine, 9-(2-deoxy-b-D-erythro-pentofuranosyl)-9H-Purin-6-amine, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-beta-D-Ribofuranose, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-Purin-6-amine, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-beta-delta-Ribofuranose, 9-(2-deoxy-beta-delta-erythro-pentofuranosyl)-9H-Purin-6-amine, .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-, (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol, (2r,3s,5r)-5-(6-Amino-9h-Purin-9-Yl)-Tetrahydro-2-(Hydroxymethyl)furan-3-Ol, 2'-DEOXYADENOSINE (USP IMPURITY), 3D1, 5-(6-AMINO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL, 2'-deoxy-d-adenosine, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, UNII-P582C98ULC, 9H-Purin-6-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-, NSC83258, DNA nucleoside A, Adenosine, 2'deoxy, 2''''-Deoxyadenosine, 2'-Deoxyadenosine Anhydrous, 2-Deoxyadenosine monohydrate, SCHEMBL19877, 2'-Deoxyadenosine (Standard), CHEMBL449329, GTPL5109, ACon0_001347, 2'-DEOXYADENOSINE [INCI], DTXCID701023135, BCP11997, HY-W040329R, BDBM50453912, AKOS015896793, 9-(2-Deoxy-b-D-ribofuranosyl)adenine, CS-W021069, HY-W040329, (R)-1-C-(7-Amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-2-deoxy-D-erythro-pentitol, 2'-Deoxyadenosine - isolated from DNA, 2'-Deoxyadenosine monohydrate, >=99%, NCGC00161970-01, 40627-14-3, AS-14314, FD158139, 2 inverted exclamation marka-Deoxyadenosine, 9HPurin6amine, 9(2deoxybetaDribofuranosyl), betaDerythroPentofuranoside, adenine9 2deoxy, HY-154058, CS-0674964, D0046, NS00014680, Adenosine, 2'-deoxy- (6CI,7CI,8CI,9CI), C00559, EN300-108104, 9HPurin6amine, 9(2deoxybetaDerythropentofuranosyl), betaDRibofuranose, 1(6amino9Hpurin9yl)1,2dideoxy, Q422457, 9-(2'-Deoxy-.beta.-D-erythro-pentofuranosyl)adenine, Z1416201984, D2DF2A54-B4A8-4727-A05C-3D1123687898, 2'-Deoxyadenosine monohydrate, powder, BioReagent, suitable for cell culture, 213-488-7, 663188-78-1, 683-408-7, D-erythro-Pentitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-2-deoxy-, (R)- |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Pathway Kegg Map Id | map00230 |
| Description | Deoxyadenosine is a derivative of nucleoside adenosine. It is comprised of adenine attached to a deoxyribose moiety via a N9-glycosidic bond. Deoxyribose differs from ribose by the absence of oxygen in the 3' position of its ribose ring. Deoxyadenosine is a critical component of DNA. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Enzyme Uniprot Id | P00813, Q9H0P0, P00491 |
| Uniprot Id | P56658, Q04400, P04183, P25099, P30543, P28647, P27707, Q0H0H0, Q9NPD5, Q9Y6L6 |
| Iupac Name | (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| Prediction Hob | 1.0 |
| Class | Purine nucleosides |
| Xlogp | -0.5 |
| Superclass | Nucleosides, nucleotides, and analogues |
| Subclass | Purine 3'-deoxyribonucleosides |
| Molecular Formula | C10H13N5O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OLXZPDWKRNYJJZ-RRKCRQDMSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.431 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | -0.097 |
| Synonyms | (2R,3S,5R)-5-(6-amino-9H-Purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-b-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-beta-delta-Ribofuranose, 2-Deoxyadenosine, 2'-Deoxyadenosine, 5-(6-amino-PURIN-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol, 9-(2-deoxy-b-D-erythro-pentofuranosyl)-9H-Purin-6-amine, 9-(2-Deoxy-b-D-erythro-pentofuranosyl)adenine, 9-(2-deoxy-b-D-ribofuranosyl)-9H-Purin-6-amine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-Purin-6-amine, 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)adenine, 9-(2-deoxy-beta-D-ribofuranosyl)-9H-Purin-6-amine, 9-(2-deoxy-beta-delta-erythro-pentofuranosyl)-9H-Purin-6-amine, 9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)adenine, 9-(2-deoxy-beta-delta-ribofuranosyl)-9H-Purin-6-amine, 9-(2-Deoxy-β-D-erythro-pentofuranosyl)adenine, 9-(2-Deoxy-β-D-ribofuranosyl)-9H-purin-6-amine, Adenine deoxyribonucleoside, Adenine deoxyribose, adenine-9 2-deoxy-b-D-erythro-Pentofuranoside, adenine-9 2-deoxy-beta-D-erythro-Pentofuranoside, adenine-9 2-deoxy-beta-delta-erythro-Pentofuranoside, Adenyldeoxyriboside, DA, Deoxyadenosine, Desoxyadenosine |
| Substituent Name | Purine 3'-deoxyribonucleoside, Purine 2'-deoxyribonucleoside, 6-aminopurine, Purine, Imidazopyrimidine, Aminopyrimidine, Imidolactam, Pyrimidine, Primary aromatic amine, N-substituted imidazole, Saccharide, Heteroaromatic compound, Oxolane, Imidazole, Azole, Secondary alcohol, Oxacycle, Azacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Primary amine, Primary alcohol, Organooxygen compound, Organonitrogen compound, Amine, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 2'-Deoxyadenosine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 251.102 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 251.102 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 251.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2892251999999997 |
| Inchi | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 |
| Smiles | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euryale Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Fritillaria Cirrhosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Fritillaria Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Fritillaria Prezewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Fritillaria Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Fritillaria Taipaiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Fritillaria Unibracteata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Fritillaria Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients