Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2009-01-29 15:28:58 UTC |
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Update Date | 2022-09-22 17:43:58 UTC |
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HMDB ID | HMDB0011616 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Adenosine 2',3'-cyclic phosphate |
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Description | Adenosine 2',3'-cyclic phosphate, also known as 2',3'-cyclic AMP or adenosine cyclic-2',3'-monophosphate, belongs to the class of organic compounds known as 2',3'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. Adenosine 2',3'-cyclic phosphate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make adenosine 2',3'-cyclic phosphate a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Adenosine 2',3'-cyclic phosphate. |
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Structure | NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC12 InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) |
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Synonyms | Value | Source |
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Adenosine 2',3'-cyclic phosphoric acid | Generator | 2',3'-Cyclic AMP | MeSH | Adenosine cyclic-2',3'-monophosphate | MeSH | 2',3'-Cyclic AMP, monosodium salt | MeSH | 2',3'-Cyclic AMP, sodium salt | MeSH | Adenosine cyclic 2,3 monophosphate | MeSH | Adenosine cyclic 2',3'-monophosphate | MeSH | 2',3'-CAMP | HMDB | 2',3'-Cyclic adenosine monophosphate | HMDB | Cyclic 2',3'-(hydrogen phosphate)-adenosine | HMDB | Cyclic 2',3'-AMP | HMDB |
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Chemical Formula | C10H12N5O6P |
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Average Molecular Weight | 329.2059 |
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Monoisotopic Molecular Weight | 329.052519653 |
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IUPAC Name | 4-(6-amino-9H-purin-9-yl)-2-hydroxy-6-(hydroxymethyl)-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one |
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Traditional Name | 4-(6-aminopurin-9-yl)-2-hydroxy-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one |
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CAS Registry Number | 634-01-5 |
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SMILES | NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(O)(=O)OC12 |
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InChI Identifier | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) |
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InChI Key | KMYWVDDIPVNLME-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 2',3'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. |
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Kingdom | Organic compounds |
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Super Class | Nucleosides, nucleotides, and analogues |
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Class | Purine nucleotides |
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Sub Class | Cyclic purine nucleotides |
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Direct Parent | 2',3'-cyclic purine nucleotides |
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Alternative Parents | |
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Substituents | - 2',3'-cyclic purine ribonucleotide
- Ribonucleoside 3'-phosphate
- 6-aminopurine
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Monosaccharide
- Imidolactam
- Pyrimidine
- N-substituted imidazole
- Organic phosphoric acid derivative
- Azole
- 1,3_dioxaphospholane
- Heteroaromatic compound
- Imidazole
- Tetrahydrofuran
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Primary amine
- Alcohol
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Amine
- Primary alcohol
- Organonitrogen compound
- Organooxygen 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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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Adenosine 2',3'-cyclic phosphate,1TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O)OC12 | 3046.3 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,1TMS,isomer #2 | C[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N)N=CN=C43)C2O1 | 3060.3 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,1TMS,isomer #3 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21 | 3070.2 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC12 | 3018.1 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC12 | 3085.7 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC12 | 4434.8 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #2 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O)OC21 | 3045.3 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #2 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O)OC21 | 3018.0 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #2 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O)OC21 | 4678.1 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #3 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C)OC21 | 3048.8 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #3 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C)OC21 | 3074.1 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #3 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C)OC21 | 4484.1 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #4 | C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C | 3045.9 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #4 | C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C | 3154.2 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TMS,isomer #4 | C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C | 4680.0 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #1 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O[Si](C)(C)C)OC21 | 3034.7 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #1 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O[Si](C)(C)C)OC21 | 3067.3 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #1 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C2OP(=O)(O[Si](C)(C)C)OC21 | 4203.6 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O)OC12 | 3029.1 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O)OC12 | 3164.6 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O)OC12 | 4281.3 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #3 | C[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C2O1 | 3058.9 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #3 | C[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C2O1 | 3206.5 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TMS,isomer #3 | C[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)C2O1 | 4083.7 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,4TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC12 | 3080.0 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,4TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC12 | 3199.8 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,4TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C)OC12 | 3823.1 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O)OC12 | 3260.3 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N)N=CN=C43)C2O1 | 3264.8 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21 | 3254.0 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC12 | 3427.8 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC12 | 3538.8 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC12 | 4595.7 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O)OC21 | 3441.4 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O)OC21 | 3488.4 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O)OC21 | 4761.4 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC21 | 3430.8 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC21 | 3500.8 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC21 | 4625.9 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C(C)(C)C | 3412.7 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C(C)(C)C | 3573.2 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(CO)C2OP(=O)(O)OC21)[Si](C)(C)C(C)(C)C | 4641.7 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC21 | 3571.0 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC21 | 3708.7 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC21 | 4457.6 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O)OC12 | 3562.7 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O)OC12 | 3813.0 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O)OC12 | 4405.9 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C43)C2O1 | 3560.7 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C43)C2O1 | 3804.0 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OP1(=O)OC2C(CO)OC(N3C=NC4=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C43)C2O1 | 4258.4 | Standard polar | 33892256 | Adenosine 2',3'-cyclic phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC12 | 3690.1 | Semi standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC12 | 4001.8 | Standard non polar | 33892256 | Adenosine 2',3'-cyclic phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C2OP(=O)(O[Si](C)(C)C(C)(C)C)OC12 | 4077.9 | Standard polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Adenosine 2',3'-cyclic phosphate GC-MS (Non-derivatized) - 70eV, Positive | splash10-00sl-4931000000-63bbe1c23904369ab6dc | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Adenosine 2',3'-cyclic phosphate GC-MS (1 TMS) - 70eV, Positive | splash10-00di-4963000000-2b49ded7864dfe43fd63 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Adenosine 2',3'-cyclic phosphate GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Adenosine 2',3'-cyclic phosphate GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 10V, Positive-QTOF | splash10-000i-1904000000-0a4c1fe6e7f0f0e471dd | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 20V, Positive-QTOF | splash10-000i-0900000000-28f1776c8c08029a9982 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 40V, Positive-QTOF | splash10-000i-2900000000-a28e89ce894806596ddd | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 10V, Negative-QTOF | splash10-0059-0409000000-3004bf80483487c032f5 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 20V, Negative-QTOF | splash10-001i-0900000000-21e625f749ef75779625 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 40V, Negative-QTOF | splash10-053r-3900000000-4ed31a0af1579b8f5e05 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 10V, Positive-QTOF | splash10-001i-0009000000-a6a397633559c6672b08 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 20V, Positive-QTOF | splash10-001i-0209000000-eb0e5bb1205894657ee7 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 40V, Positive-QTOF | splash10-000i-0902000000-b0c38d2925719c58ec19 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 10V, Negative-QTOF | splash10-004i-0009000000-24546b3fc8282cbfee15 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 20V, Negative-QTOF | splash10-004i-0109000000-c2871eb4df0f5c053bf6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Adenosine 2',3'-cyclic phosphate 40V, Negative-QTOF | splash10-053r-2900000000-d02a1a43356a83f68581 | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | Not Available |
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Biospecimen Locations | |
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Tissue Locations | |
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Pathways | |
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Normal Concentrations |
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Blood | Detected and Quantified | 0.026 +/- 0.00096 uM | Adult (>18 years old) | Both | Normal | | details |
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Abnormal Concentrations |
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Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal Cancer | | details | Urine | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Cancer patients undergoing total body irradiation | | details |
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Associated Disorders and Diseases |
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Disease References | Colorectal cancer |
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- Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
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Associated OMIM IDs | |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB028321 |
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KNApSAcK ID | C00001132 |
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Chemspider ID | 390207 |
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KEGG Compound ID | C08355 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Sedoheptulose |
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METLIN ID | Not Available |
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PubChem Compound | 2024 |
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PDB ID | Not Available |
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ChEBI ID | 175195 |
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Food Biomarker Ontology | Not Available |
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VMH ID | M03165 |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Krall JF, Swensen JL, Korenman SG: Hormonal control of uterine contraction. Characterization od cyclic AMP-dependent membrane properties in the myometrium. Biochim Biophys Acta. 1976 Nov 2;448(4):578-88. [PubMed:184841 ]
- Schoffstall AM: Prebiotic phosphorylation of nucleosides in formamide. Orig Life. 1976 Dec;7(4):399-412. [PubMed:1023139 ]
- Cheng C, Fan C, Wan R, Tong C, Miao Z, Chen J, Zhao Y: Phosphorylation of adenosine with trimetaphosphate under simulated prebiotic conditions. Orig Life Evol Biosph. 2002 Jun;32(3):219-24. [PubMed:12227426 ]
- Ghandour MS, Derer P, Labourdette G, Delaunoy JP, Langley OK: Glial cell markers in the reeler mutant mouse: a biochemical and immunohistological study. J Neurochem. 1981 Jan;36(1):195-200. [PubMed:6257845 ]
- Wells MR, Sprinkle TJ: Purification of rat 2',3'-cyclic nucleotide 3'-phosphodiesterase. J Neurochem. 1981 Feb;36(2):633-9. [PubMed:6257858 ]
- Reddy NB, Askanas V, Engel WK: Demonstration of 2',3'-cyclic nucleotide 3'-phosphohydrolase in cultured human Schwann cells. J Neurochem. 1982 Sep;39(3):887-9. [PubMed:6284879 ]
- Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
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