Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2006-03-09 15:02:52 UTC |
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Update Date | 2023-02-21 17:15:57 UTC |
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HMDB ID | HMDB0001901 |
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Secondary Accession Numbers | - HMDB0002002
- HMDB01901
- HMDB02002
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Metabolite Identification |
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Common Name | Aminocaproic acid |
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Description | Aminocaproic acid (marketed as Amicar) is a drug used to treat bleeding disorders. It is an antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties. It is a derivative of the amino acid lysine. It binds reversibly to the kringle domain of plasminogen and blocks the binding of plasminogen to fibrin and its activation to plasmin. |
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Structure | InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) |
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Synonyms | Value | Source |
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6-Aminocaproic acid | ChEBI | Acide aminocaproque | ChEBI | Acido aminocaproico | ChEBI | Acidum aminocaproicum | ChEBI | Ahx | ChEBI | Amicar | ChEBI | Amikar | ChEBI | AMINOCAPROIC | ChEBI | Aminohexanoic acid | ChEBI | Capralense | ChEBI | Capramol | ChEBI | Caproamin | ChEBI | Caprocid | ChEBI | Caprolisin | ChEBI | EACA | ChEBI | Epsamon | ChEBI | Epsicaprom | ChEBI | Epsicapron | ChEBI | Epsikapron | ChEBI | Epsilcapramin | ChEBI | Epsilcapramine | ChEBI | Epsilon S | ChEBI | epsilon-Ahx | ChEBI | epsilon-Amino-N-hexanoic acid | ChEBI | epsilon-Aminocaproic acid | ChEBI | epsilon-Aminohexanoic acid | ChEBI | epsilon-Leucine | ChEBI | epsilon-Norleucine | ChEBI | Omega-aminocaproic acid | ChEBI | Omega-aminohexanoic acid | ChEBI | Respramin | ChEBI | Z | ChEBI | 6-Aminohexanoic acid | Kegg | 6-Aminocaproate | Generator | Aminohexanoate | Generator | epsilon-Amino-N-hexanoate | Generator | epsilon-Aminocaproate | Generator | epsilon-Aminohexanoate | Generator | Omega-aminocaproate | Generator | Omega-aminohexanoate | Generator | 6-Aminohexanoate | Generator | Aminocaproate | Generator | 6 Aminocaproic acid | MeSH | 6 Aminohexanoic acid | MeSH | Caprolest | MeSH | Hemocaprol | MeSH | Hexalense | MeSH | epsilon Aminocaproic acid | MeSH | 6-amino-Hexanoate | HMDB | 6-amino-Hexanoic acid | HMDB | 6-amino-N-Hexanoate | HMDB | 6-amino-N-Hexanoic acid | HMDB | Acepramin | HMDB | Acepramine | HMDB | Acikaprin | HMDB | Afibrin | HMDB | Aminokapron | HMDB | Atsemin | HMDB | Caplamin | HMDB | Capracid | HMDB | Capranol | HMDB | e-amino-N-Hexanoate | HMDB | e-amino-N-Hexanoic acid | HMDB | e-Aminocaproate | HMDB | e-Aminocaproic acid | HMDB | e-Aminocaproic acid usp | HMDB | e-Aminohexanoate | HMDB | e-Aminohexanoic acid | HMDB | e-Leucine | HMDB | e-Norleucine | HMDB | Epsillon-aminocaproate | HMDB | Epsillon-aminocaproic acid | HMDB | Epsillon-aminocaproic acid' epsilcapramin | HMDB | epsilon-Aminocaproic acid usp | HMDB | epsilon-S | HMDB | H-6-Ahx-OH | HMDB | H-EAhx-OH | HMDB | H-epsilon-Acp-OH | HMDB | Hemopar | HMDB | Hepin | HMDB | Ipsilon | HMDB | W-Aminocaproate | HMDB | W-Aminocaproic acid | HMDB | W-Aminohexanoate | HMDB | W-Aminohexanoic acid | HMDB | Pharmachemie brand OF aminocaproic acid | MeSH, HMDB | Delagrange brand OF aminocaproic acid | MeSH, HMDB | Leurquin brand OF aminocaproic acid | MeSH, HMDB | Rottapharm brand OF aminocaproic acid | MeSH, HMDB | Sanofi winthrop brand OF aminocaproic acid | MeSH, HMDB |
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Chemical Formula | C6H13NO2 |
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Average Molecular Weight | 131.1729 |
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Monoisotopic Molecular Weight | 131.094628665 |
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IUPAC Name | 6-aminohexanoic acid |
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Traditional Name | aminocaproic acid |
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CAS Registry Number | 60-32-2 |
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SMILES | NCCCCCC(O)=O |
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InChI Identifier | InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) |
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InChI Key | SLXKOJJOQWFEFD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent | Medium-chain fatty acids |
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Alternative Parents | |
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Substituents | - Medium-chain fatty acid
- Amino fatty acid
- Straight chain fatty acid
- Amino acid or derivatives
- Amino acid
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Primary aliphatic amine
- Amine
- Carbonyl group
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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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 | |
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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 | 205 °C | Not Available | Boiling Point | 255.64 °C. @ 760.00 mm Hg (est) | The Good Scents Company Information System | Water Solubility | 505 mg/mL at 25 °C | Not Available | LogP | -2.95 | HANSCH,C ET AL. (1995) |
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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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Aminocaproic acid,1TMS,isomer #1 | C[Si](C)(C)OC(=O)CCCCCN | 1323.1 | Semi standard non polar | 33892256 | Aminocaproic acid,1TMS,isomer #2 | C[Si](C)(C)NCCCCCC(=O)O | 1432.6 | Semi standard non polar | 33892256 | Aminocaproic acid,2TMS,isomer #1 | C[Si](C)(C)NCCCCCC(=O)O[Si](C)(C)C | 1491.2 | Semi standard non polar | 33892256 | Aminocaproic acid,2TMS,isomer #1 | C[Si](C)(C)NCCCCCC(=O)O[Si](C)(C)C | 1585.9 | Standard non polar | 33892256 | Aminocaproic acid,2TMS,isomer #1 | C[Si](C)(C)NCCCCCC(=O)O[Si](C)(C)C | 1627.1 | Standard polar | 33892256 | Aminocaproic acid,2TMS,isomer #2 | C[Si](C)(C)N(CCCCCC(=O)O)[Si](C)(C)C | 1689.6 | Semi standard non polar | 33892256 | Aminocaproic acid,2TMS,isomer #2 | C[Si](C)(C)N(CCCCCC(=O)O)[Si](C)(C)C | 1616.6 | Standard non polar | 33892256 | Aminocaproic acid,2TMS,isomer #2 | C[Si](C)(C)N(CCCCCC(=O)O)[Si](C)(C)C | 1873.5 | Standard polar | 33892256 | Aminocaproic acid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)CCCCCN([Si](C)(C)C)[Si](C)(C)C | 1735.2 | Semi standard non polar | 33892256 | Aminocaproic acid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)CCCCCN([Si](C)(C)C)[Si](C)(C)C | 1711.7 | Standard non polar | 33892256 | Aminocaproic acid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)CCCCCN([Si](C)(C)C)[Si](C)(C)C | 1624.1 | Standard polar | 33892256 | Aminocaproic acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCCCCN | 1547.2 | Semi standard non polar | 33892256 | Aminocaproic acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCCCCCC(=O)O | 1684.4 | Semi standard non polar | 33892256 | Aminocaproic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCCCC(=O)O[Si](C)(C)C(C)(C)C | 1966.0 | Semi standard non polar | 33892256 | Aminocaproic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCCCC(=O)O[Si](C)(C)C(C)(C)C | 1954.4 | Standard non polar | 33892256 | Aminocaproic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCCCC(=O)O[Si](C)(C)C(C)(C)C | 1878.5 | Standard polar | 33892256 | Aminocaproic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCCCC(=O)O)[Si](C)(C)C(C)(C)C | 2090.5 | Semi standard non polar | 33892256 | Aminocaproic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCCCC(=O)O)[Si](C)(C)C(C)(C)C | 2009.9 | Standard non polar | 33892256 | Aminocaproic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCCCC(=O)O)[Si](C)(C)C(C)(C)C | 2016.8 | Standard polar | 33892256 | Aminocaproic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2384.5 | Semi standard non polar | 33892256 | Aminocaproic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2277.7 | Standard non polar | 33892256 | Aminocaproic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1998.0 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Aminocaproic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-00ds-3900000000-d2bae6c296c96fbad8d6 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Aminocaproic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-00di-9700000000-96516a7056d0134fe91f | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Aminocaproic acid GC-MS (3 TMS) | splash10-00di-3900000000-b1e222c28c8ee5ee7e39 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Aminocaproic acid GC-EI-TOF (Non-derivatized) | splash10-00ds-3900000000-d2bae6c296c96fbad8d6 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Aminocaproic acid GC-EI-TOF (Non-derivatized) | splash10-00di-9700000000-96516a7056d0134fe91f | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Aminocaproic acid GC-MS (Non-derivatized) | splash10-00di-3900000000-b1e222c28c8ee5ee7e39 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Aminocaproic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9000000000-329dcaeb92f0ab303d25 | 2017-08-28 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Aminocaproic acid GC-MS (1 TMS) - 70eV, Positive | splash10-00di-9800000000-f36a0bcbb91fd68401b1 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Aminocaproic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Aminocaproic acid 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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Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid Quattro_QQQ 10V, N/A-QTOF (Annotated) | splash10-01p9-7900000000-7b0c4a3576914da3beb0 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid Quattro_QQQ 25V, N/A-QTOF (Annotated) | splash10-014i-9100000000-6d1cca409e0604efbe03 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid Quattro_QQQ 40V, N/A-QTOF (Annotated) | splash10-0pdi-9000000000-a55855076c25405ac1e5 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF | splash10-001i-0900000000-a47431cd716ecb19b9e6 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF | splash10-001i-1900000000-a5934cb182440e097505 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF | splash10-0a4i-9100000000-fe8764f31273202c4192 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF | splash10-0a4l-9000000000-d811796a47319a78c0ac | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF | splash10-0006-9000000000-85516d2ef8e256aa32c4 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF | splash10-001i-0900000000-b263ad88d0bb4ca9e2a8 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF | splash10-02ta-9400000000-6fd9244fa9d4129efb9f | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF | splash10-014i-9000000000-e57b77ac2660e8633c45 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF | splash10-05ox-9000000000-ac37660729ea0447a3b8 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF | splash10-052f-9000000000-dd2777a39a8decd7066d | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOF | splash10-02t9-8900000000-024692ea60c820275def | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ , negative-QTOF | splash10-001i-0900000000-a47431cd716ecb19b9e6 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ , negative-QTOF | splash10-001i-1900000000-a5934cb182440e097505 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ , negative-QTOF | splash10-0a4i-9100000000-fe8764f31273202c4192 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ , negative-QTOF | splash10-0a4l-9000000000-d811796a47319a78c0ac | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Aminocaproic acid LC-ESI-QQ , negative-QTOF | splash10-0006-9000000000-85516d2ef8e256aa32c4 | 2017-09-14 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Aminocaproic acid 10V, Positive-QTOF | splash10-02ai-4900000000-54865b71f357fde8c392 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Aminocaproic acid 20V, Positive-QTOF | splash10-014i-9400000000-2873b4030b2888252fdb | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Aminocaproic acid 40V, Positive-QTOF | splash10-05mo-9000000000-dc3baa186d436fce3845 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Aminocaproic acid 10V, Negative-QTOF | splash10-001i-2900000000-341c4f57265302e0270b | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Aminocaproic acid 20V, Negative-QTOF | splash10-001r-7900000000-53e66c477bcee7650936 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Aminocaproic acid 40V, Negative-QTOF | splash10-0a4l-9000000000-fbccc9ade003c2f9aec7 | 2017-07-26 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Experimental 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 2012-12-04 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2012-12-05 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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