Showing metabocard for Nodularin (MMDBc0006031)
Microbial
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-14 23:24:30 UTC | ||||||||||||
| Update Date | 2022-08-12 19:57:42 UTC | ||||||||||||
| Metabolite ID | MMDBc0006031 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Nodularin | ||||||||||||
| Description | 118399-22-7, also known as nodularin-R, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on 118399-22-7. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C41H60N8O10 | ||||||||||||
| Average Mass | 824.977 | ||||||||||||
| Monoisotopic Mass | 824.443240164 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1 | ||||||||||||
| InChI Key | IXBQSRWSVIBXNC-HSKGSTCASA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organic acids and derivatives | ||||||||||||
| Class | Carboxylic acids and derivatives | ||||||||||||
| Sub Class | Amino acids, peptides, and analogues | ||||||||||||
| Direct Parent | Oligopeptides | ||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||||||
| External Descriptors |
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| Functional Ontology | |||||||||||||
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| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| Pathways |
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| Pathways | This table shows at most 5 pathways. For the full list of associated pathways: See All Associated Bacterial Pathways
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Reactions This table shows at most 20 reactions. For the full list of associated reactions: See All Associated Reactions
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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 | 10471625 | ||||||||||||
| KEGG Compound ID | C15713 | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 14217092 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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| Synthesis Reference | Not Available | ||||||||||||
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