Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2013-06-15 18:25:14 UTC |
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Update Date | 2021-09-14 15:48:16 UTC |
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HMDB ID | HMDB0060641 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Lamivudine-monophosphate |
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Description | Lamivudine-monophosphate belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others. Lamivudine-monophosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Within humans, lamivudine-monophosphate participates in a number of enzymatic reactions. In particular, lamivudine-monophosphate and uridine 5'-diphosphate can be converted into lamivudine and uridine triphosphate through the action of the enzyme 5'(3')-deoxyribonucleotidase, cytosolic type. In addition, lamivudine-monophosphate can be converted into lamivudine-diphosphate; which is mediated by the enzyme UMP-CMP kinase. Lamivudine-monophosphate is a metabolite of lamivudine. In humans, lamivudine-monophosphate is involved in lamivudine metabolism pathway. Lamivudine has been used for treatment of chronic hepatitis B at a lower dose than for treatment of HIV. It improves the seroconversion of e-antigen positive hepatitis B and also improves histology staging of the liver. It is marketed by GlaxoSmithKline with the brand names Zeffix, Heptovir, Epivir, and Epivir-HBV. Lamivudine (2',3'-dideoxy-3'-thiacytidine, commonly called 3TC) is a potent nucleoside analog reverse transcriptase inhibitor (nRTI). |
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Structure | NC1=NC(=O)N(C=C1)C1CSC(COP(O)(O)=O)O1 InChI=1S/C8H12N3O6PS/c9-5-1-2-11(8(12)10-5)6-4-19-7(17-6)3-16-18(13,14)15/h1-2,6-7H,3-4H2,(H2,9,10,12)(H2,13,14,15) |
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Synonyms | Value | Source |
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Lamivudine-monophosphoric acid | Generator |
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Chemical Formula | C8H12N3O6PS |
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Average Molecular Weight | 309.236 |
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Monoisotopic Molecular Weight | 309.018442333 |
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IUPAC Name | {[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy}phosphonic acid |
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Traditional Name | [5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | NC1=NC(=O)N(C=C1)C1CSC(COP(O)(O)=O)O1 |
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InChI Identifier | InChI=1S/C8H12N3O6PS/c9-5-1-2-11(8(12)10-5)6-4-19-7(17-6)3-16-18(13,14)15/h1-2,6-7H,3-4H2,(H2,9,10,12)(H2,13,14,15) |
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InChI Key | WUMZLKDCOINBEA-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others. |
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Kingdom | Organic compounds |
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Super Class | Nucleosides, nucleotides, and analogues |
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Class | Nucleoside and nucleotide analogues |
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Sub Class | Not Available |
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Direct Parent | Nucleoside and nucleotide analogues |
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Alternative Parents | |
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Substituents | - Hydroxypyrimidine
- Monoalkyl phosphate
- Hydropyrimidine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Pyrimidine
- Monothioacetal
- Oxathiolane
- Heteroaromatic compound
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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 | |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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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 | |
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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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Lamivudine-monophosphate,1TMS,isomer #1 | C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS1 | 2907.7 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,1TMS,isomer #1 | C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS1 | 2750.6 | Standard non polar | 33892256 | Lamivudine-monophosphate,1TMS,isomer #1 | C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS1 | 4601.4 | Standard polar | 33892256 | Lamivudine-monophosphate,1TMS,isomer #2 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1 | 2940.0 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,1TMS,isomer #2 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1 | 2807.8 | Standard non polar | 33892256 | Lamivudine-monophosphate,1TMS,isomer #2 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1 | 4866.7 | Standard polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #1 | C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C | 2887.9 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #1 | C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C | 2799.2 | Standard non polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #1 | C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C | 4082.1 | Standard polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #2 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O[Si](C)(C)C)O2)C=C1 | 2957.9 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #2 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O[Si](C)(C)C)O2)C=C1 | 2874.2 | Standard non polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #2 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O[Si](C)(C)C)O2)C=C1 | 4088.9 | Standard polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #3 | C[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1)[Si](C)(C)C | 2916.1 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #3 | C[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1)[Si](C)(C)C | 2941.4 | Standard non polar | 33892256 | Lamivudine-monophosphate,2TMS,isomer #3 | C[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1)[Si](C)(C)C | 4412.8 | Standard polar | 33892256 | Lamivudine-monophosphate,3TMS,isomer #1 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1 | 2948.9 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,3TMS,isomer #1 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1 | 2926.5 | Standard non polar | 33892256 | Lamivudine-monophosphate,3TMS,isomer #1 | C[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1 | 3595.6 | Standard polar | 33892256 | Lamivudine-monophosphate,3TMS,isomer #2 | C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1 | 2927.6 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,3TMS,isomer #2 | C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1 | 2968.2 | Standard non polar | 33892256 | Lamivudine-monophosphate,3TMS,isomer #2 | C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1 | 3734.4 | Standard polar | 33892256 | Lamivudine-monophosphate,4TMS,isomer #1 | C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C | 2925.4 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,4TMS,isomer #1 | C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C | 3011.6 | Standard non polar | 33892256 | Lamivudine-monophosphate,4TMS,isomer #1 | C[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)CS1)O[Si](C)(C)C | 3297.8 | Standard polar | 33892256 | Lamivudine-monophosphate,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS1 | 3140.3 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS1 | 2979.1 | Standard non polar | 33892256 | Lamivudine-monophosphate,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)CS1 | 4634.6 | Standard polar | 33892256 | Lamivudine-monophosphate,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1 | 3187.6 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1 | 3025.1 | Standard non polar | 33892256 | Lamivudine-monophosphate,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1 | 4784.5 | Standard polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C | 3334.6 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C | 3207.5 | Standard non polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C | 4152.7 | Standard polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1 | 3398.0 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1 | 3294.7 | Standard non polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1 | 4151.0 | Standard polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C | 3344.4 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C | 3364.6 | Standard non polar | 33892256 | Lamivudine-monophosphate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C1=NC(=O)N(C2CSC(COP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C | 4333.1 | Standard polar | 33892256 | Lamivudine-monophosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1 | 3571.8 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1 | 3503.2 | Standard non polar | 33892256 | Lamivudine-monophosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC(=O)N(C2CSC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1 | 3811.0 | Standard polar | 33892256 | Lamivudine-monophosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1 | 3534.2 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1 | 3566.6 | Standard non polar | 33892256 | Lamivudine-monophosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1 | 3847.0 | Standard polar | 33892256 | Lamivudine-monophosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C | 3696.0 | Semi standard non polar | 33892256 | Lamivudine-monophosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C | 3715.6 | Standard non polar | 33892256 | Lamivudine-monophosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)CS1)O[Si](C)(C)C(C)(C)C | 3571.9 | Standard polar | 33892256 |
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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 - Lamivudine-monophosphate GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9600000000-0f9e123a063ecdf6fad9 | 2017-09-20 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Lamivudine-monophosphate 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 - Lamivudine-monophosphate 10V, Positive-QTOF | splash10-03di-1901000000-2e073322a60520f312c2 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 20V, Positive-QTOF | splash10-03di-3900000000-ad68d6b3107641ff7935 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 40V, Positive-QTOF | splash10-03di-7900000000-4eab7596166db4103844 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 10V, Negative-QTOF | splash10-08i0-8795000000-5043ce534fa34ee5b030 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 20V, Negative-QTOF | splash10-004i-9400000000-2ac6374099555560525d | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 40V, Negative-QTOF | splash10-004i-9000000000-48905029c7a654b04535 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 10V, Positive-QTOF | splash10-03di-0901000000-b5c07d1ff47b5c07e9e3 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 20V, Positive-QTOF | splash10-03di-1912000000-e782ea387734bab68ffe | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 40V, Positive-QTOF | splash10-03xr-9710000000-11c5ff7b6fc77d742e9f | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 10V, Negative-QTOF | splash10-0a4i-0009000000-163f375ea6e6be2686e3 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 20V, Negative-QTOF | splash10-0059-7900000000-724dfac9dd2d2d67e23a | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Lamivudine-monophosphate 40V, Negative-QTOF | splash10-004i-9100000000-b66a0d64feb8ec022b1e | 2021-10-12 | 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) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum |
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