Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 01:37:56 UTC |
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Update date | 2018-05-29 01:54:29 UTC |
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Primary ID | FDB028322 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Adenosine 2'-phosphate |
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Description | Adenosine 2'-phosphate is converted enzymatically from adenosine 2',3'-cyclic phosphate via the enzyme 2',3'-cyclic-nucleotide 3'-phosphodiesterase (EC 3.1.4.37). In the brain, this enzyme acts on 2',3'-cyclic AMP more rapidly than on the UMP or CMP derivatives. In the liver, this enzyme acts on 2',3'-cyclic CMP more rapidly than on the purine derivatives; it also hydrolyses the corresponding 3',5'-cyclic phosphates, more slowly. This latter enzyme has been called cyclic-CMP phosphodiesterase. (KEGG)
This enzyme belongs to the family of hydrolases, specifically those acting on phosphoric diester bonds. The systematic name of this enzyme class is nucleoside-2',3'-cyclic-phosphate 2'-nucleotidohydrolase. [HMDB] |
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CAS Number | 130-49-4 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C10H14N5O7P |
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IUPAC name | {[(3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid |
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InChI Identifier | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1 |
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InChI Key | QDFHPFSBQFLLSW-VTHZCTBJSA-N |
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Isomeric SMILES | NC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O |
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Average Molecular Weight | 347.2212 |
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Monoisotopic Molecular Weight | 347.063084339 |
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Classification |
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Description | Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Pentose phosphates |
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Alternative Parents | |
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Substituents | - Pentose phosphate
- N-glycosyl compound
- Glycosyl compound
- 6-aminopurine
- Purine
- Imidazopyrimidine
- Monoalkyl phosphate
- Aminopyrimidine
- Phosphoric acid ester
- Imidolactam
- Alkyl phosphate
- Pyrimidine
- N-substituted imidazole
- Organic phosphoric acid derivative
- Imidazole
- Tetrahydrofuran
- Azole
- Heteroaromatic compound
- Secondary alcohol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Amine
- Alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Primary amine
- Primary alcohol
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Source: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Adenosine 2'-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9111000000-30858a96532ff89d651f | Spectrum | Predicted GC-MS | Adenosine 2'-phosphate, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9100200000-d0f6652856d0c3a7b618 | Spectrum | Predicted GC-MS | Adenosine 2'-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0941000000-0d2f4c87b9492b797b1a | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0900000000-05494a612a44c915d42c | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-0900000000-c69e1b186d62119a3e6f | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000t-4509000000-0758f239dfa7d66c56d7 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-3900000000-078e645388a3975224b2 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9500000000-a2593421479e03ad710f | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0009000000-887ea9bd64e5c2f7cd0d | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9223000000-4a8a1e632605235ae842 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0059-9700000000-fdc7c166e548c05e4e08 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0109000000-65ac3022ced102991667 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000b-0409000000-362f9f527eb0693efd01 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-3901000000-79f8e1b6d41722636c5a | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C00946 |
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Pubchem Compound ID | 53481006 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 28223 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB11617 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | show |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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