Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-06 15:16:52 UTC |
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Update Date | 2022-03-07 02:51:59 UTC |
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HMDB ID | HMDB0015423 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Cefonicid |
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Description | Cefonicid is only found in individuals that have used or taken this drug. It is a second-generation cephalosporin administered intravenously or intramuscularly. It is used for urinary tract infections, lower respiratory tract infections, and soft tissue and bone infections. [PubChem]Cefonicid, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. |
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Structure | [H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1 |
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Synonyms | Value | Source |
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(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | ChEBI | Cefonicido | ChEBI | Cefonicidum | ChEBI | Monocef | Kegg | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | Generator | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulphomethyl)-1H-tetrazol-5-yl]sulphanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | Generator | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulphomethyl)-1H-tetrazol-5-yl]sulphanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | Generator | Cefonicid, sodium | HMDB | SK And F 75073 | HMDB | Cefonicid monosodium | HMDB | Monocid | HMDB | SK And F75073 | HMDB | Sodium cefonicid | HMDB | SK And F-75073 | HMDB | Cefonicid disodium salt | HMDB | Cefonicid monosodium salt | HMDB |
| Show more...
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Chemical Formula | C18H18N6O8S3 |
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Average Molecular Weight | 542.566 |
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Monoisotopic Molecular Weight | 542.034823652 |
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IUPAC Name | (6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-8-oxo-3-({[1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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Traditional Name | cefonicid |
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CAS Registry Number | 61270-58-4 |
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SMILES | [H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O |
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InChI Identifier | InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1 |
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InChI Key | DYAIAHUQIPBDIP-AXAPSJFSSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]Oct-2-ene-2-carboxylic acid moiety or a derivative thereof. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Lactams |
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Sub Class | Beta lactams |
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Direct Parent | Cephalosporins |
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Alternative Parents | |
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Substituents | - Cephalosporin
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid or derivatives
- Phenylacetamide
- Aryl thioether
- Alkylarylthioether
- Meta-thiazine
- Monocyclic benzene moiety
- Benzenoid
- Azole
- Organic sulfonic acid or derivatives
- Organosulfonic acid or derivatives
- Organosulfonic acid
- Sulfonyl
- Tertiary carboxylic acid amide
- Tetrazole
- Heteroaromatic compound
- Alkanesulfonic acid
- Carboxamide group
- Azetidine
- Secondary alcohol
- Secondary carboxylic acid amide
- Dialkylthioether
- Azacycle
- Sulfenyl compound
- Hemithioaminal
- Thioether
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxide
- Carbonyl group
- Aromatic alcohol
- Organopnictogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Organic oxygen compound
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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 | 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 | 0.9 g/L | 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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Cefonicid,1TMS,isomer #1 | C[Si](C)(C)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12)C1=CC=CC=C1 | 4478.4 | Semi standard non polar | 33892256 | Cefonicid,1TMS,isomer #2 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)C3=CC=CC=C3)C(=O)N12 | 4464.2 | Semi standard non polar | 33892256 | Cefonicid,1TMS,isomer #3 | C[Si](C)(C)OS(=O)(=O)CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)C3=CC=CC=C3)[C@H]2SC1 | 4563.2 | Semi standard non polar | 33892256 | Cefonicid,1TMS,isomer #4 | C[Si](C)(C)N(C(=O)[C@H](O)C1=CC=CC=C1)[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12 | 4383.0 | Semi standard non polar | 33892256 | Cefonicid,2TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)C(=O)N12 | 4355.7 | Semi standard non polar | 33892256 | Cefonicid,2TMS,isomer #2 | C[Si](C)(C)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C)CS[C@H]12)C1=CC=CC=C1 | 4419.1 | Semi standard non polar | 33892256 | Cefonicid,2TMS,isomer #3 | C[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 4288.9 | Semi standard non polar | 33892256 | Cefonicid,2TMS,isomer #4 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O)C3=CC=CC=C3)C(=O)N12 | 4413.0 | Semi standard non polar | 33892256 | Cefonicid,2TMS,isomer #5 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 4267.2 | Semi standard non polar | 33892256 | Cefonicid,2TMS,isomer #6 | C[Si](C)(C)OS(=O)(=O)CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)[C@H]2SC1 | 4304.5 | Semi standard non polar | 33892256 | Cefonicid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)C(=O)N12 | 4365.3 | Semi standard non polar | 33892256 | Cefonicid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)C(=O)N12 | 4370.4 | Standard non polar | 33892256 | Cefonicid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)C(=O)N12 | 6694.7 | Standard polar | 33892256 | Cefonicid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 4249.8 | Semi standard non polar | 33892256 | Cefonicid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 4053.6 | Standard non polar | 33892256 | Cefonicid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 6529.3 | Standard polar | 33892256 | Cefonicid,3TMS,isomer #3 | C[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 4278.0 | Semi standard non polar | 33892256 | Cefonicid,3TMS,isomer #3 | C[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 4432.9 | Standard non polar | 33892256 | Cefonicid,3TMS,isomer #3 | C[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 6475.4 | Standard polar | 33892256 | Cefonicid,3TMS,isomer #4 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 4263.9 | Semi standard non polar | 33892256 | Cefonicid,3TMS,isomer #4 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 4458.6 | Standard non polar | 33892256 | Cefonicid,3TMS,isomer #4 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 6705.1 | Standard polar | 33892256 | Cefonicid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 4265.4 | Semi standard non polar | 33892256 | Cefonicid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 4519.8 | Standard non polar | 33892256 | Cefonicid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 6131.6 | Standard polar | 33892256 | Cefonicid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12)C1=CC=CC=C1 | 4661.7 | Semi standard non polar | 33892256 | Cefonicid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)C3=CC=CC=C3)C(=O)N12 | 4661.6 | Semi standard non polar | 33892256 | Cefonicid,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OS(=O)(=O)CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)C3=CC=CC=C3)[C@H]2SC1 | 4715.2 | Semi standard non polar | 33892256 | Cefonicid,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C(=O)[C@H](O)C1=CC=CC=C1)[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12 | 4576.5 | Semi standard non polar | 33892256 | Cefonicid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)C(=O)N12 | 4732.6 | Semi standard non polar | 33892256 | Cefonicid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CC=C1 | 4744.9 | Semi standard non polar | 33892256 | Cefonicid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 4663.1 | Semi standard non polar | 33892256 | Cefonicid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O)C3=CC=CC=C3)C(=O)N12 | 4760.5 | Semi standard non polar | 33892256 | Cefonicid,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 4653.0 | Semi standard non polar | 33892256 | Cefonicid,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OS(=O)(=O)CN1N=NN=C1SCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)[C@H]2SC1 | 4645.3 | Semi standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)C(=O)N12 | 4859.1 | Semi standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)C(=O)N12 | 5093.6 | Standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](NC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)C(=O)N12 | 6570.2 | Standard polar | 33892256 | Cefonicid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 4773.4 | Semi standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 4688.7 | Standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O)CS[C@@H]2[C@H](N(C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 6443.4 | Standard polar | 33892256 | Cefonicid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 4766.5 | Semi standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 5163.1 | Standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 6360.8 | Standard polar | 33892256 | Cefonicid,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 4778.1 | Semi standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 5163.1 | Standard non polar | 33892256 | Cefonicid,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(CSC2=NN=NN2CS(=O)(=O)O[Si](C)(C)C(C)(C)C)CS[C@@H]2[C@H](N(C(=O)[C@H](O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 6556.2 | 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 - Cefonicid GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-2900000000-0f023e45b6dcbb96b8f8 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (2 TMS) - 70eV, Positive | splash10-0a4i-1900000000-e57acd704a67de65d6f4 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_5) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS (TBDMS_2_6) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefonicid GC-MS ("Cefonicid,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | 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 - Cefonicid 10V, Positive-QTOF | splash10-0a4l-3639630000-edb94fec4c8e3c3c9ef2 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 20V, Positive-QTOF | splash10-0a4i-3819200000-ae0e6f76ccc46cab6717 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 40V, Positive-QTOF | splash10-00di-1391000000-37a6bd3ea2eff1784726 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 10V, Negative-QTOF | splash10-0006-1900210000-a96fc252446e5aec5fe3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 20V, Negative-QTOF | splash10-001u-5910000000-f6c5668ade25379c3cd5 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 40V, Negative-QTOF | splash10-054o-9511000000-e177544f8b846bb0801b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 10V, Positive-QTOF | splash10-002f-0106090000-927559d70ec868f83a52 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 20V, Positive-QTOF | splash10-0fc0-1609540000-f840e0bd348e7a62c4dc | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 40V, Positive-QTOF | splash10-000w-7796400000-1b7baf530da5f07427a4 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 10V, Negative-QTOF | splash10-0a4i-0200090000-4f5d5c4250ca75bbebae | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 20V, Negative-QTOF | splash10-0006-4709550000-71a0f5eb7f986a18a19a | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefonicid 40V, Negative-QTOF | splash10-014i-3900000000-0fcb87d12a6574832b29 | 2021-10-11 | 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 | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB01328 | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB01328 | | details |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB01328 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 39734 |
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KEGG Compound ID | C06882 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Cefonicid |
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METLIN ID | Not Available |
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PubChem Compound | 43594 |
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PDB ID | Not Available |
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ChEBI ID | 3491 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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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 | Not Available |
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