[DMAdda5]MCLR (CHEM120454)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:24:49 UTC | ||||||||
| Update Date | 2026-05-21 08:23:47 UTC | ||||||||
| Accession Number | CHEM120454 | ||||||||
| Identification | |||||||||
| Common Name | [DMAdda5]MCLR | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C48H72N10O12 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 980.533 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (5R,8S,11R,12S,15S,18S,19S,22R)15(3((diaminomethylene)amino)propyl)18((1E,3E,5S,6S)6hydroxy3,5dimethyl7phenylhepta1,3dien1yl)8isobutyl1,5,12,19tetramethyl2methylene3,6,9,13,16,20,25heptaoxo1,4,7,10,14,17,21heptaazacyclopentacosane11,22dicarboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C48H72N10O12/c125(2)223645(66)5739(47(69)70)29(6)41(62)5434(1613215148(49)50)44(65)5333(181726(3)2327(4)37(59)2432141110121532)28(5)40(61)5535(46(67)68)192038(60)58(9)31(8)43(64)5230(7)42(63)5636/h1012,1415,1718,23,25,2730,3337,39,59H,8,13,16,1922,24H2,17,9H3,(H,52,64)(H,53,65)(H,54,62)(H,55,61)(H,56,63)(H,57,66)(H,67,68)(H,69,70)(H4,49,50,51)/b1817+,2623+/t27,28,29,30+,33,34,35+,36,37,39+/m0/s1 | ||||||||
| InChI Key | IYDKWWDUBYWQGF-ZVCLVCPPSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
