Showing metabocard for Enniatin-B2 (MMDBc0007000)
Microbial
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 00:21:02 UTC | ||||||||||||
| Update Date | 2022-08-12 19:57:50 UTC | ||||||||||||
| Metabolite ID | MMDBc0007000 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Enniatin-B2 | ||||||||||||
| Description | 17-hydroxy-4,10-dimethyl-3,6,9,12,15,18-hexakis(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-16-ene-2,5,8,11,14-pentone 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. 17-hydroxy-4,10-dimethyl-3,6,9,12,15,18-hexakis(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-16-ene-2,5,8,11,14-pentone is an extremely weak basic (essentially neutral) compound (based on its pKa). | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms | Not Available | ||||||||||||
| Molecular Formula | C32H55N3O9 | ||||||||||||
| Average Mass | 625.804 | ||||||||||||
| Monoisotopic Mass | 625.393830363 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C32H55N3O9/c1-15(2)21-30(39)43-25(19(9)10)28(37)35(14)23(17(5)6)32(41)44-26(20(11)12)29(38)34(13)22(16(3)4)31(40)42-24(18(7)8)27(36)33-21/h15-26H,1-14H3,(H,33,36) | ||||||||||||
| InChI Key | NUFASKQIWTXKBR-UHFFFAOYSA-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 | Aliphatic heteromonocyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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| 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 | |||||||||||||
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| 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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| 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 | Not Available | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 75069491 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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