3'-Adenylic acid
PubChem CID: 41211
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| Compound Synonyms | 3'-Adenylic acid, 84-21-9, Adenosine 3'-monophosphate, Synadenylic acid, 3'-AMP, Adenosine 3'-phosphate, Yeast adenylic acid, Adenosine-3'-monophosphate, Adenosine-3'-phosphate, AMP 3'-phosphate, 3'-Adenosine monophosphate, Adenosine-3'-monophosphoric acid, Adenosine 3'-phosphate monohydrate, EINECS 201-521-8, Adenosine-3'-phosphoric acid, NSC 210570, BRN 0054478, R438H7I3KZ, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, CHEBI:28931, CHEMBL576739, 3'-ADENYLIC ACID [MI], (-)-3'-ADENYLIC ACID, DTXSID40876084, 4-26-00-03607 (Beilstein Handbook Reference), MFCD00005746, NSC-210570, (2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen phosphate, {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid, UNII-R438H7I3KZ, 3'-Adenylic acid sodium salt, (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl)oxy)phosphonic acid, 3AM, 3'-phosphoadenosine, bmse000349, Adenosine-3-phosphoric acid, SCHEMBL146700, 3'-AMP, 3'-Adenylic acid, DTXCID801014197, Adenosine-3'-(dihydrogen phosphate), BDBM50395135, AKOS015894774, Adenosine 3'-monophosphate, from yeast, NA66252, PD070003, DB-022409, CS-0210580, NS00014561, C01367, G79923, Q27103969, 3'-AMP, 3'-Adenylic acid, Adenosine- 3'- monophosphoric acid hydrate, (2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yldihydrogenphosphate |
|---|---|
| Topological Polar Surface Area | 186.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 23.0 |
| Description | Adenylic acid. Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P30542 |
| Iupac Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate |
| Prediction Hob | 0.0 |
| Class | Ribonucleoside 3'-phosphates |
| Target Id | NPT216 |
| Xlogp | -2.7 |
| Superclass | Nucleosides, nucleotides, and analogues |
| Molecular Formula | C10H14N5O7P |
| Prediction Swissadme | 0.0 |
| Inchi Key | LNQVTSROQXJCDD-KQYNXXCUSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.844 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -1.298 |
| Synonyms | 3'-Adenosine monoate, 3'-Adenosine monoic acid, 3'-Adenosine monophosphate, 3'-Adenylate, 3'-Adenylic acid, Adenosine 3'-ate, Adenosine 3'-ic acid, Adenosine 3'-monoate, Adenosine 3'-monoic acid, Adenosine 3'-monophosphate, Adenosine 3'-phosphate, Adenosine-3'-ate, Adenosine-3'-monoate, Adenosine-3'-monoic acid, Adenosine-3'-monooric acid, Adenosine-3'-monophosphate, Adenosine-3'-monophosphoric acid, Adenosine-3'-phosphate, AMP 3'-ate, AMP 3'-ic acid, AMP 3'-phosphate, Synadenylate, Synadenylic acid, Yeast adenylic acid, AMP 3'-Phosphate, 3'-Adenosine monophosphoric acid, Adenosine 3'-monophosphoric acid, Adenosine 3'-phosphoric acid, AMP 3'-Phosphoric acid, 2' Adenylic acid, 5' Adenylic acid, Phosphate dipotassium, adenosine, 5'-Adenylic acid, Adenylic acid, 5'-Phosphate, adenosine, Adenosine 2'-phosphate, Dipotassium, adenosine phosphate, Phosphate disodium, adenosine, Monophosphate, 2'-adenosine, 2'-AMP, 2'-Adenosine monophosphate, Adenosine 2' phosphate, Adenosine phosphate dipotassium, Adenosine 3' phosphate, Disodium, adenosine phosphate, Phosphaden, 2'-Adenylic acid, AMP, Adenosine monophosphate, Adenosine phosphate disodium, 2' Adenosine monophosphate, Acid, 2'-adenylic, Acid, 5'-adenylic, Adenosine 5' phosphate, Adenosine 5'-phosphate |
| Compound Name | 3'-Adenylic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 347.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 347.063 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 347.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -0.31735401739130453 |
| Inchi | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 |
| Smiles | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Ribonucleoside 3'-phosphates |
- 1. Outgoing r'ship
FOUND_INto/from Heliotropium Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all