[Mdha-GSH7]MC-LR (CHEM120696)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:41:15 UTC | ||||||||
| Update Date | 2026-05-21 08:57:19 UTC | ||||||||
| Accession Number | CHEM120696 | ||||||||
| Identification | |||||||||
| Common Name | [Mdha-GSH7]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 | C59H91N13O18S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1301.633 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (5R,8S,11R,12S,15S,18S,19S,22R)-2-((((R)-2-((S)-4-amino-4-carboxybutanamido)-3-((carboxymethyl)amino)-3-oxopropyl)thio)methyl)-15-(3-guanidinopropyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-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/C59H91N13O18S/c1-30(2)24-41-54(82)71-48(58(88)89)34(6)50(78)68-39(16-13-23-63-59(61)62)53(81)67-38(19-17-31(3)25-32(4)44(90-9)26-36-14-11-10-12-15-36)33(5)49(77)69-40(57(86)87)20-22-46(74)72(8)43(55(83)65-35(7)51(79)70-41)29-91-28-42(52(80)64-27-47(75)76)66-45(73)21-18-37(60)56(84)85/h10-12,14-15,17,19,25,30,32-35,37-44,48H,13,16,18,20-24,26-29,60H2,1-9H3,(H,64,80)(H,65,83)(H,66,73)(H,67,81)(H,68,78)(H,69,77)(H,70,79)(H,71,82)(H,75,76)(H,84,85)(H,86,87)(H,88,89)(H4,61,62,63)/b19-17+,31-25+/t32-,33-,34-,35+,37-,38-,39-,40+,41-,42-,43?,44-,48+/m0/s1 | ||||||||
| InChI Key | VLOIKSDQZCUMEK-XUMORHROSA-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 | ||||||||
