Showing metabocard for Corynebactin (MMDBc0020160)
Microbial
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 10:06:44 UTC | ||||||||||||
| Update Date | 2022-08-12 20:01:19 UTC | ||||||||||||
| Metabolite ID | MMDBc0020160 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Corynebactin | ||||||||||||
| Description | |||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C39H42N6O18 | ||||||||||||
| Average Mass | 882.789 | ||||||||||||
| Monoisotopic Mass | 882.255558536 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)/t16-,17-,18-,28+,29+,30+/m1/s1 | ||||||||||||
| InChI Key | RCQTVEFBFUNTGM-BDVHUIKKSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organic acids and derivatives | ||||||||||||
| Class | Peptidomimetics | ||||||||||||
| Sub Class | Depsipeptides | ||||||||||||
| Direct Parent | Cyclic depsipeptides | ||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||||||
| External Descriptors |
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| Functional Ontology | |||||||||||||
| Not Available | |||||||||||||
| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
| Spectra | |||||||||||||
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| Chromatographic Retention Times and Retention Indices | |||||||||||||
| Retention Times | Not Available | ||||||||||||
| Retention Indices | Not Available | ||||||||||||
| Biological Properties | |||||||||||||
| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
| Associated OMIM IDs | |||||||||||||
| Human Proteins and Enzymes | |||||||||||||
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| Human Pathways | |||||||||||||
| Pathways |
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| Microbial Pathways | |||||||||||||
| Pathways | Not Available | ||||||||||||
| Metabolic Reactions | |||||||||||||
Reactions This table shows at most 20 reactions. For the full list of associated reactions: See All Associated Reactions
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| Health Effects and Bioactivity | |||||||||||||
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| Microbial Sources | |||||||||||||
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| Exposure Sources | |||||||||||||
| Other Exposures |
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| Host Biospecimen and Location | |||||||||||||
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| External Links | |||||||||||||
| HMDB ID | Not Available | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | Not Available | ||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||
| Chemspider ID | 111553 | ||||||||||||
| KEGG Compound ID | C12219 | ||||||||||||
| BioCyc ID | CPD-9984 | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Bacillibactin | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 125349 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | 31432 | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
| General References | |||||||||||||