Record Information |
---|
Version | 2.0 |
---|
Creation Date | 2012-05-31 13:59:39 -0600 |
---|
Update Date | 2015-09-13 12:56:13 -0600 |
---|
Secondary Accession Numbers | |
---|
Identification |
---|
Name: | 3'-AMP |
---|
Description | 3'-AMP is also known as Adenylic acid. It is an Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 3'-position. |
---|
Structure | |
---|
Synonyms: | - 3'-Adenosine monophosphate
- 3'-Adenosine monophosphoric acid
- 3'-Adenylate
- 3'-Adenylic acid
- 3'-AMP
- Adenosine 3'-monophosphate
- Adenosine 3'-monophosphoric acid
- Adenosine 3'-phosphate
- Adenosine 3'-phosphoric acid
- Adenosine-3'-monophosphate
- Adenosine-3'-monophosphorate
- Adenosine-3'-monophosphoric acid
- Adenosine-3'-phosphate
- Adenosine-3'-phosphoric acid
- AMP 3'-Phosphate
- AMP 3'-Phosphoric acid
- Synadenylate
- Synadenylic acid
- Yeast adenylate
- Yeast adenylic acid
|
---|
Chemical Formula: | C10H14N5O7P |
---|
Weight: | Average: 347.2212 Monoisotopic: 347.063084339 |
---|
InChI Key: | LNQVTSROQXJCDD-KQYNXXCUSA-N |
---|
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 |
---|
CAS number: | 84-21-9 |
---|
IUPAC Name: | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid |
---|
Traditional IUPAC Name: | adenosine-3'-phosphate |
---|
SMILES: | NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. |
---|
Kingdom | Organic compounds |
---|
Super Class | Nucleosides, nucleotides, and analogues |
---|
Class | Ribonucleoside 3'-phosphates |
---|
Sub Class | Not Available |
---|
Direct Parent | Ribonucleoside 3'-phosphates |
---|
Alternative Parents | |
---|
Substituents | - Pentose phosphate
- Ribonucleoside 3'-phosphate
- Glycosyl compound
- N-glycosyl compound
- 6-aminopurine
- Pentose monosaccharide
- Monosaccharide phosphate
- Purine
- Imidazopyrimidine
- Aminopyrimidine
- Monoalkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- N-substituted imidazole
- Monosaccharide
- Pyrimidine
- Imidolactam
- Alkyl phosphate
- Heteroaromatic compound
- Tetrahydrofuran
- Azole
- Imidazole
- Secondary alcohol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Primary amine
- Amine
- Alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | |
---|
Physical Properties |
---|
State: | Solid |
---|
Charge: | -2 |
---|
Melting point: | 197 °C |
---|
Experimental Properties: | Property | Value | Source |
---|
Water Solubility: | 500 mg/L at 15 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] | PhysProp | LogP: | -1.453 | PhysProp |
|
---|
Predicted Properties | |
---|
Biological Properties |
---|
Cellular Locations: | Cytoplasm |
---|
Reactions: | |
---|
SMPDB Pathways: | Not Available |
---|
KEGG Pathways: | |
---|
EcoCyc Pathways: | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
Spectra |
---|
Spectra: | Spectrum Type | Description | Splash Key | |
---|
GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-0kuv-0973000000-eb7c71515eea7eb1a837 | View in MoNA |
---|
GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-0kuv-0973000000-eb7c71515eea7eb1a837 | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9511000000-80f5030da41a88c5adf7 | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-03xr-7973700000-7630afa3708fa5e5ab9e | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , negative | splash10-03di-2093000000-f9389aa723f687dcb780 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , negative | splash10-01u1-9463000000-deedf4a3a159267bf008 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , positive | splash10-000i-1900000000-3070b457af9f8caf95ae | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-000i-0901000000-01666f7ac8779350ae53 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 50V, Negative | splash10-03di-2093000000-e566bf05f29e5c2f202b | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 50V, Positive | splash10-000i-1900000000-796d8e13194f52dee246 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-000i-0900000000-02e4343bf1e5fbc63510 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 35V, Negative | splash10-0002-0009000000-38164510e452a6ab6012 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-2913000000-583726ba8cf3132ced34 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0900000000-3743b8381504a528e937 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-3900000000-674aca6f0bee774491a7 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0032-4709000000-0e304c018489ee824b4e | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-3900000000-28c48abec776120de260 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9500000000-64e6e28bb636afabd554 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0009000000-f5a4678a70e90bab759b | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-1921000000-253481bcb5e35615598c | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-003r-8900000000-3b498c0da7159391cb24 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0009000000-97735d217b8d45d68457 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0921000000-e877995fe049396ac137 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-0900000000-fc6f39d328b9fab00fc1 | View in MoNA |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
|
---|
References |
---|
References: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
- Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
|
---|
Synthesis Reference: | Not Available |
---|
Material Safety Data Sheet (MSDS) | Download (PDF) |
---|
Links |
---|
External Links: | |
---|