Showing metabocard for 6-deoxyerythronolide B (MMDBc0004729)
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| Version | 1.0 | ||||||||||||||
| Status | Detected and Quantified | ||||||||||||||
| Creation Date | 2021-05-14 22:36:11 UTC | ||||||||||||||
| Update Date | 2025-10-07 16:04:55 UTC | ||||||||||||||
| Metabolite ID | MMDBc0004729 | ||||||||||||||
| Metabolite Identification | |||||||||||||||
| Common Name | 6-deoxyerythronolide B | ||||||||||||||
| Description | 6-deoxyerythronolide B is a polyketide, specifically a C21-macrolide backbone of erythromycin, which plays a significant role in antibiotic biosynthesis. This metabolite has garnered attention in biomedical literature for its potential significance, as highlighted in various studies (PMID:40737972 ). It is synthesized by the 6-deoxyerythronolide B synthase (DEBS), an archetypal polyketide synthase (PKS) that has been extensively studied to understand the chemistry and evolution of polyketide antibiotic biosynthesis (PMID:38663033 ). The intricate interactions between the catalytic and substrate acyl carrier protein domains of DEBS have been explored using advanced techniques such as cryogenic electron microscopy (PMID:39179672 ). Additionally, the biosynthetic pathways involving 6-deoxyerythronolide B have been engineered to produce various metabolites, showcasing its versatility in synthetic biology (PMID:36470994 ). Research has also focused on the functional characterization of antibody probes targeting specific modules of the DEBS, further elucidating its structural and functional dynamics (PMID:37184546 ). Overall, 6-deoxyerythronolide B serves as a critical model for understanding polyketide synthesis and its applications in developing antibiotic compounds. | ||||||||||||||
| Structure |  | ||||||||||||||
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| Molecular Formula | C21H38O6 | ||||||||||||||
| Average Mass | 386.5228 | ||||||||||||||
| Monoisotopic Mass | 386.266838948 | ||||||||||||||
| IUPAC Name | Not Available | ||||||||||||||
| Traditional Name | Not Available | ||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||
| SMILES | Not Available | ||||||||||||||
| InChI Identifier | InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1 | ||||||||||||||
| InChI Key | HQZOLNNEQAKEHT-IBBGRPSASA-N | ||||||||||||||
| Chemical Taxonomy | |||||||||||||||
| Description | Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. | ||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||
| Super Class | Phenylpropanoids and polyketides | ||||||||||||||
| Class | Macrolides and analogues | ||||||||||||||
| Sub Class | Not Available | ||||||||||||||
| Direct Parent | Macrolides and analogues | ||||||||||||||
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| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | ||||||||||||||
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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 | 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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| HMDB ID | Not Available | ||||||||||||||
| DrugBank ID | DB04070 | ||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||
| FooDB ID | Not Available | ||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||
| Chemspider ID | Not Available | ||||||||||||||
| KEGG Compound ID | C03240 | ||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||
| BiGG ID | Not Available | ||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||
| METLIN ID | Not Available | ||||||||||||||
| PubChem Compound | 121904 | ||||||||||||||
| PDB ID | Not Available | ||||||||||||||
| ChEBI ID | 16089 | ||||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||||
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| Synthesis Reference | Not Available | ||||||||||||||
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