Record Information |
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Version | 1.0 |
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Created at | 2023-11-22 20:00:29 UTC |
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Updated at | 2024-05-03 18:44:58 UTC |
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NP-MRD ID | NP0332128 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | N6-succinoadenosine |
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Description | It was first documented in 2023 (PMID: 37997782). Based on a literature review a significant number of articles have been published on 2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)butanedioic acid (PMID: 37997781) (PMID: 37997780) (PMID: 37997779) (PMID: 37997778). |
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Structure | [H][C@]1(O[C@H](CO)[C@@H](O)[C@H]1O)N1C=NC2=C(NC(CC(O)=O)C(O)=O)N=CN=C12 InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5?,6-,9-,10-,13-/m1/s1 |
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Synonyms | Value | Source |
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2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)butanedioate | Generator |
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Chemical Formula | C14H17N5O8 |
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Average Mass | 383.3170 Da |
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Monoisotopic Mass | 383.10771 Da |
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IUPAC Name | 2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid |
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Traditional Name | 2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)butanedioic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]1(O[C@H](CO)[C@@H](O)[C@H]1O)N1C=NC2=C(NC(CC(O)=O)C(O)=O)N=CN=C12 |
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InChI Identifier | InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5?,6-,9-,10-,13-/m1/s1 |
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InChI Key | VKGZCEJTCKHMRL-DPXQIYNJSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, experimental) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, experimental) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, D2O, experimental) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, D2O, experimental) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, D2O, experimental) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, D2O, experimental) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, experimental) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600.17282104, 540 uL of phosphate buffer (203 mM Na2HPO4, 44 mM NaH2PO4 (pH 7.4), 1 mM TSP, 3 mM NaN3) and 60 uL o, simulated) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.17282104, D2O, simulated) | laurence.marcourt@unige.ch | Geneva university | Laurence Marcourt | 2024-05-03 | View Spectrum |
| Species |
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Species of Origin | |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | |
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General References | - Chen Y, Zhao Y, Ou P, Song J: Two-dimensional III-nitride alloys: electronic and chemical properties of monolayer Ga((1-x))Al(x)N. Phys Chem Chem Phys. 2023 Dec 6;25(47):32549-32556. doi: 10.1039/d3cp03291d. [PubMed:37997782 ]
- Knight K, Handel M: Enhancing your research: how JEB supports research papers from submission to publication and public outreach. J Exp Biol. 2023 Dec 1;226(23):jeb246916. doi: 10.1242/jeb.246916. Epub 2023 Nov 24. [PubMed:37997781 ]
- Rasic D, Wirenfeldt M, Askou AL, Corydon TJ, Telinius N: Local Adenoviral Delivery of Vascular Endothelial Growth Factor C Induces Lymphangiogenesis in the Conjunctiva in Rabbits. Ophthalmic Res. 2023;66(1):1128-1138. doi: 10.1159/000533427. Epub 2023 Aug 9. [PubMed:37997780 ]
- Liu R, Wang Y, Chai H, Miao P: Ultrasensitive electrochemical detection and inhibition evaluation of DNA methyltransferase based on cascade strand displacement amplification. Analyst. 2023 Dec 18;149(1):59-62. doi: 10.1039/d3an01780j. [PubMed:37997779 ]
- Kumbhare LB, Udayan APM, Singla H, Sawant SN, Ruz P, Wadawale A, Bahadur J: Hydrogen-bonded linear chain assemblies of palladium(II)-selenoether complexes: solid state aggregates as templates for nano-structural Pd(17)Se(15) leading to efficient electrocatalytic activity. Dalton Trans. 2023 Dec 12;52(48):18302-18314. doi: 10.1039/d3dt02170j. [PubMed:37997778 ]
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