[D‐Asp³,DMAdda5]MCLA (CHEM120449)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:24:27 UTC | ||||||||
| Update Date | 2026-05-21 08:21:55 UTC | ||||||||
| Accession Number | CHEM120449 | ||||||||
| Identification | |||||||||
| Common Name | [D‐Asp³,DMAdda5]MCLA | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C44H63N7O12 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 881.453 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (5R,8S,11R,15S,18S,19S,22R)18((1E,3E,5S,6S)6hydroxy3,5dimethyl7phenylhepta1,3dien1yl)8isobutyl1,5,15,19tetramethyl2methylene3,6,9,13,16,20,25heptaoxo1,4,7,10,14,17,21heptaazacyclopentacosane11,22dicarboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C44H63N7O12/c123(2)193342(59)5034(44(62)63)2236(53)4527(6)39(56)4731(161524(3)2025(4)35(52)2130131110121430)26(5)38(55)4832(43(60)61)171837(54)51(9)29(8)41(58)4628(7)40(57)4933/h1016,20,23,2528,3135,52H,8,1719,2122H2,17,9H3,(H,45,53)(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,50,59)(H,60,61)(H,62,63)/b1615+,2420+/t25,26,27,28+,31,32+,33,34+,35/m0/s1 | ||||||||
| InChI Key | YEECPBMSOJOCFK-BSBXEUFZSA-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 | ||||||||
