Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2020-06-03 19:55:51 UTC |
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Update Date | 2022-09-22 18:34:32 UTC |
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HMDB ID | HMDB0240653 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Succinimide |
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Description | succinimide, also known as butanimide, belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. Based on a literature review a significant number of articles have been published on succinimide. |
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Structure | InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7) |
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Synonyms | Value | Source |
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2,5-Diketopyrrolidine | ChEBI | 2,5-Dioxopyrrolidine | ChEBI | 2,5-Pyrrolidinedione | ChEBI | 3,4-Dihydropyrrole-2,5-dione | ChEBI | Butanimide | ChEBI | Dihydro-3-pyrroline-2,5-dione | ChEBI | Succinic acid imide | ChEBI | Succinic imide | ChEBI | Succinimide pharbiol | Kegg | Succinate imide | Generator | Succinimide | HMDB |
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Chemical Formula | C4H5NO2 |
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Average Molecular Weight | 99.089 |
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Monoisotopic Molecular Weight | 99.032028405 |
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IUPAC Name | pyrrolidine-2,5-dione |
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Traditional Name | succinimide |
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CAS Registry Number | 123-56-8 |
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SMILES | O=C1CCC(=O)N1 |
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InChI Identifier | InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7) |
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InChI Key | KZNICNPSHKQLFF-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyrrolidines |
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Sub Class | Pyrrolidones |
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Direct Parent | Pyrrolidine-2-ones |
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Alternative Parents | |
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Substituents | - 2-pyrrolidone
- Carboxylic acid imide
- Dicarboximide
- Carboxylic acid imide, n-unsubstituted
- Lactam
- Carboxylic acid derivative
- Azacycle
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 | Not Available |
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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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Succinimide,1TMS,isomer #1 | C[Si](C)(C)N1C(=O)CCC1=O | 1328.5 | Semi standard non polar | 33892256 | Succinimide,1TMS,isomer #1 | C[Si](C)(C)N1C(=O)CCC1=O | 1215.1 | Standard non polar | 33892256 | Succinimide,1TMS,isomer #1 | C[Si](C)(C)N1C(=O)CCC1=O | 1761.2 | Standard polar | 33892256 | Succinimide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N1C(=O)CCC1=O | 1508.2 | Semi standard non polar | 33892256 | Succinimide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N1C(=O)CCC1=O | 1478.5 | Standard non polar | 33892256 | Succinimide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N1C(=O)CCC1=O | 1818.5 | 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 - Succinimide EI-B (Non-derivatized) | splash10-052b-9000000000-4ed377ae4cbafaf0ea7a | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Succinimide EI-B (Non-derivatized) | splash10-0a4j-9000000000-f7f25638445e86e5701b | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Succinimide 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 - Succinimide LC-ESI-QQ , negative-QTOF | splash10-0002-9000000000-9f9b622741790d3c52db | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Succinimide LC-ESI-QQ , negative-QTOF | splash10-0002-9000000000-fd1035e37d1cc077b72a | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Succinimide LC-ESI-QQ , negative-QTOF | splash10-0005-9000000000-9154f606bafc62e4d44f | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Succinimide LC-ESI-QQ , negative-QTOF | splash10-0006-9000000000-2e59d1daee2d53691650 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Succinimide LC-ESI-QQ , negative-QTOF | splash10-0006-9000000000-0c5a3e74046df707c832 | 2017-09-14 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 10V, Positive-QTOF | splash10-0udi-1900000000-eb24407d406f28e31be0 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 20V, Positive-QTOF | splash10-0udi-4900000000-d1270b068b1abbb8fd60 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 40V, Positive-QTOF | splash10-001i-9000000000-86420fb8580e4fbc5bf3 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 10V, Negative-QTOF | splash10-0002-9000000000-d73985b772dcf6c36adf | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 20V, Negative-QTOF | splash10-0002-9000000000-00b470ed0291fce70f82 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 40V, Negative-QTOF | splash10-00l6-9000000000-6a2d039ba49e2cc76ba8 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 10V, Negative-QTOF | splash10-0002-9000000000-19ac1b834ba25b3f28a7 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 20V, Negative-QTOF | splash10-0005-9000000000-63ead2cdca983d7082b9 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 40V, Negative-QTOF | splash10-0006-9000000000-90726b17dc36e29c5299 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 10V, Positive-QTOF | splash10-0udi-5900000000-b3f0ad5cb43eb5a486d9 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 20V, Positive-QTOF | splash10-053u-9100000000-64d55b42e045244affde | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Succinimide 40V, Positive-QTOF | splash10-0006-9000000000-a7fefbfea7b01790baa0 | 2021-09-24 | 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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