Showing metabocard for Wewakazole B (MMDBc0021878)
| Record Information | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 12:01:19 UTC | ||||||||||||
| Update Date | 2022-08-31 06:47:33 UTC | ||||||||||||
| Metabolite ID | MMDBc0021878 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Wewakazole B | ||||||||||||
| Description | CHEMBL4537766 belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. Based on a literature review very few articles have been published on CHEMBL4537766. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms | Not Available | ||||||||||||
| Molecular Formula | C58H70N12O12 | ||||||||||||
| Average Mass | 1127.27 | ||||||||||||
| Monoisotopic Mass | 1126.523615742 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C58H70N12O12/c1-7-31(2)45-55-64-40(30-80-55)48(72)61-33(4)56(77)70-26-16-23-43(70)58(79)69-25-14-21-41(69)49(73)59-29-44(71)62-38(27-36-17-10-8-11-18-36)54-67-46(35(6)82-54)51(75)60-32(3)53-66-47(34(5)81-53)52(76)63-39(28-37-19-12-9-13-20-37)57(78)68-24-15-22-42(68)50(74)65-45/h8-13,17-20,30-33,38-39,41-43,45H,7,14-16,21-29H2,1-6H3,(H,59,73)(H,60,75)(H,61,72)(H,62,71)(H,63,76)(H,65,74)/t31-,32-,33-,38-,39-,41-,42-,43-,45-/m0/s1 | ||||||||||||
| InChI Key | QDAUOBXWEKQKBF-DOWNRXLQSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organic acids and derivatives | ||||||||||||
| Class | Carboxylic acids and derivatives | ||||||||||||
| Sub Class | Amino acids, peptides, and analogues | ||||||||||||
| Direct Parent | Cyclic peptides | ||||||||||||
| Alternative Parents |
| ||||||||||||
| Substituents |
| ||||||||||||
| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
| Not Available | |||||||||||||
| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
| Spectra | |||||||||||||
| Chromatographic Retention Times and Retention Indices | |||||||||||||
| Retention Times | Not Available | ||||||||||||
| Retention Indices | Not Available | ||||||||||||
| 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 | |||||||||||||
| |||||||||||||
| Human Pathways | |||||||||||||
| Pathways |
| ||||||||||||
| 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
| |||||||||||||
| Health Effects and Bioactivity | |||||||||||||
| |||||||||||||
| Microbial Sources | |||||||||||||
| |||||||||||||
| Exposure Sources | |||||||||||||
| Other Exposures |
| ||||||||||||
| Host Biospecimen and Location | |||||||||||||
| |||||||||||||
| 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 | 58196766 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 139589594 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
| General References | |||||||||||||
| |||||||||||||