Showing metabocard for Hypomurocin A-2 (MMDBc0019227)
Microbial
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 09:19:23 UTC | ||||||||||||
| Update Date | 2022-08-12 20:00:58 UTC | ||||||||||||
| Metabolite ID | MMDBc0019227 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Hypomurocin A-2 | ||||||||||||
| Description | 2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-2-methylbutylidene}amino)-N-{1-[(1-{[1-(2-{[1-({1-[(1-{2-[(1-hydroxy-4-methylpentan-2-yl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl}-2-methyl-1-oxopropan-2-yl)-C-hydroxycarbonimidoyl]-3-methylbutyl}-C-hydroxycarbonimidoyl)-3-methylbutyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}pentanediimidic acid belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. 2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-2-methylbutylidene}amino)-N-{1-[(1-{[1-(2-{[1-({1-[(1-{2-[(1-hydroxy-4-methylpentan-2-yl)-C-hydroxycarbonimidoyl]pyrrolidin-1-yl}-2-methyl-1-oxopropan-2-yl)-C-hydroxycarbonimidoyl]-3-methylbutyl}-C-hydroxycarbonimidoyl)-3-methylbutyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}pentanediimidic acid is a very weakly acidic compound (based on its pKa). | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C58H102N12O13 | ||||||||||||
| Average Mass | 1175.525 | ||||||||||||
| Monoisotopic Mass | 1174.768931392 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C58H102N12O13/c1-18-58(17,66-36(12)72)53(81)63-38(23-24-43(59)73)46(74)64-44(34(8)9)51(79)65-45(35(10)11)52(80)68-57(15,16)55(83)70-26-20-22-42(70)50(78)62-39(28-32(4)5)47(75)61-40(29-33(6)7)48(76)67-56(13,14)54(82)69-25-19-21-41(69)49(77)60-37(30-71)27-31(2)3/h31-35,37-42,44-45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,77)(H,61,75)(H,62,78)(H,63,81)(H,64,74)(H,65,79)(H,66,72)(H,67,76)(H,68,80) | ||||||||||||
| InChI Key | UYRWXELHDAUNNB-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organic acids and derivatives | ||||||||||||
| Class | Carboxylic acids and derivatives | ||||||||||||
| Sub Class | Amino acids, peptides, and analogues | ||||||||||||
| Direct Parent | Peptides | ||||||||||||
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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 | ||||||||||||
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| 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 | 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 | 85203678 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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