[D-Leu1,dmAdda5]MC-LR (isomer 1) (CHEM120556)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:31:54 UTC | ||||||||
| Update Date | 2026-05-21 08:42:05 UTC | ||||||||
| Accession Number | CHEM120556 | ||||||||
| Identification | |||||||||
| Common Name | [D-Leu1,dmAdda5]MC-LR (isomer 1) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C51H78N10O12 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1022.580 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-5,8-diisobutyl-18-((R,1E,3E)-6-methoxy-3-methyl-7-phenylhepta-1,3-dien-1-yl)-1,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C51H78N10O12/c1-28(2)25-39-47(67)59-40(26-29(3)4)48(68)60-42(50(71)72)32(7)44(64)56-37(17-14-24-54-51(52)53)46(66)55-36(21-19-30(5)18-20-35(73-10)27-34-15-12-11-13-16-34)31(6)43(63)57-38(49(69)70)22-23-41(62)61(9)33(8)45(65)58-39/h11-13,15-16,18-19,21,28-29,31-32,35-40,42H,8,14,17,20,22-27H2,1-7,9-10H3,(H,55,66)(H,56,64)(H,57,63)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b21-19+,30-18+/t31-,32-,35+,36-,37-,38+,39+,40-,42+/m0/s1 | ||||||||
| InChI Key | SCAWNGGFAHEA-YFVOVKPZSA-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 | ||||||||
