Showing metabocard for [Ile2,4,7]Surfactin (MMDBc0010966)
Microbial
| Record Information | ||||||||||||||||
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| Version | 1.0 | |||||||||||||||
| Status | Detected and Quantified | |||||||||||||||
| Creation Date | 2021-05-15 02:58:41 UTC | |||||||||||||||
| Update Date | 2022-08-12 19:58:50 UTC | |||||||||||||||
| Metabolite ID | MMDBc0010966 | |||||||||||||||
| Metabolite Identification | ||||||||||||||||
| Common Name | [Ile2,4,7]Surfactin | |||||||||||||||
| Description | [Ile2,4,7]Surfactin 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. Based on a literature review very few articles have been published on [Ile2,4,7]Surfactin. | |||||||||||||||
| Structure |  | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Molecular Formula | C52H91N7O13 | |||||||||||||||
| Average Mass | 1022.336 | |||||||||||||||
| Monoisotopic Mass | 1021.667486018 | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | Not Available | |||||||||||||||
| InChI Identifier | InChI=1S/C52H91N7O13/c1-13-32(10)43-50(69)55-38(26-31(8)9)48(67)58-44(33(11)14-2)51(70)56-39(28-42(63)64)47(66)54-37(25-30(6)7)49(68)59-45(34(12)15-3)52(71)72-35(22-20-18-16-17-19-21-29(4)5)27-40(60)53-36(46(65)57-43)23-24-41(61)62/h29-39,43-45H,13-28H2,1-12H3,(H,53,60)(H,54,66)(H,55,69)(H,56,70)(H,57,65)(H,58,67)(H,59,68)(H,61,62)(H,63,64)/t32?,33?,34?,35?,36-,37-,38?,39+,43+,44+,45+/m1/s1 | |||||||||||||||
| InChI Key | OSAWXHGUPKHCMT-SCKMTRHSSA-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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| 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 | 78445596 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 139586015 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||||
| CMMC Knowledgebase | Not Available | |||||||||||||||
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