Showing metabocard for YM-47142 (MMDBc0003716)
Microbial
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-14 21:37:45 UTC | ||||||||||||
| Update Date | 2022-08-12 19:57:10 UTC | ||||||||||||
| Metabolite ID | MMDBc0003716 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | YM-47142 | ||||||||||||
| Description | (2S)-3-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-phenylpropylidene]amino}-N-[(3R,6S,9S,17S)-5,8,11,16-tetrahydroxy-6-[(C-hydroxycarbonimidoyl)methyl]-3,18-dimethyl-9,14-bis(2-methylpropyl)-2,12,13-trioxo-1-oxa-4,7,10,15-tetraazacyclooctadeca-4,7,10,15-tetraen-17-yl]butanimidic acid 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 (2S)-3-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-phenylpropylidene]amino}-N-[(3R,6S,9S,17S)-5,8,11,16-tetrahydroxy-6-[(C-hydroxycarbonimidoyl)methyl]-3,18-dimethyl-9,14-bis(2-methylpropyl)-2,12,13-trioxo-1-oxa-4,7,10,15-tetraazacyclooctadeca-4,7,10,15-tetraen-17-yl]butanimidic acid. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C43H64N8O13 | ||||||||||||
| Average Mass | 901.028 | ||||||||||||
| Monoisotopic Mass | 900.459284153 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C43H64N8O13/c1-20(2)15-27-35(55)36(56)42(62)49-28(16-21(3)4)38(58)48-30(19-31(44)53)37(57)45-23(7)43(63)64-25(9)34(41(61)47-27)51-40(60)33(24(8)52)50-39(59)29(46-32(54)17-22(5)6)18-26-13-11-10-12-14-26/h10-14,20-25,27-30,33-34,52H,15-19H2,1-9H3,(H2,44,53)(H,45,57)(H,46,54)(H,47,61)(H,48,58)(H,49,62)(H,50,59)(H,51,60)/t23-,24?,25?,27?,28+,29+,30+,33+,34+/m1/s1 | ||||||||||||
| InChI Key | WDOYVAJHZHVZQI-XVYFVSAESA-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 | ||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic 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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| Retention Times | Not Available | ||||||||||||
| Retention Indices | Not Available | ||||||||||||
| Biological Properties | |||||||||||||
| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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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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| HMDB ID | Not Available | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | Not Available | ||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||
| Chemspider ID | 8899743 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 10724410 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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