[D‐Leu1,Adda(OH)5]MC‐LR (CHEM120629)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:36:56 UTC | ||||||||
| Update Date | 2026-05-21 08:47:57 UTC | ||||||||
| Accession Number | CHEM120629 | ||||||||
| Identification | |||||||||
| Common Name | [D‐Leu1,Adda(OH)5]MC‐LR | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C52H80N10O13 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1052.591 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-18-((1E,3Z,5S,6S)-3-(hydroxymethyl)-6-methoxy-5-methyl-7-phenylhepta-1,3-dien-1-yl)-5,8-diisobutyl-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/C52H80N10O13/c1-28(2)23-39-48(69)60-40(24-29(3)4)49(70)61-43(51(73)74)32(7)45(66)57-37(17-14-22-55-52(53)54)47(68)56-36(19-18-35(27-63)25-30(5)41(75-10)26-34-15-12-11-13-16-34)31(6)44(65)58-38(50(71)72)20-21-42(64)62(9)33(8)46(67)59-39/h11-13,15-16,18-19,25,28-32,36-41,43,63H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,56,68)(H,57,66)(H,58,65)(H,59,67)(H,60,69)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b19-18+,35-25-/t30-,31-,32-,36-,37-,38+,39+,40-,41-,43+/m0/s1 | ||||||||
| InChI Key | KUJGVALYAACNLY-DWMFVRHXSA-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 | ||||||||
