[D-Asp³,Dhb7]MC‐AhaR (CHEM120502)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:28:22 UTC | ||||||||
| Update Date | 2026-05-21 08:37:20 UTC | ||||||||
| Accession Number | CHEM120502 | ||||||||
| Identification | |||||||||
| Common Name | [D-Asp³,Dhb7]MC‐AhaR | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C49H74N10O12 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 994.549 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (E)-15-(3-((diaminomethylene)amino)propyl)-2-ethylidene-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-8-pentyl-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C49H74N10O12/c1-8-10-12-18-36-46(66)59-38(48(69)70)27-41(61)55-35(19-15-24-52-49(50)51)45(65)56-34(21-20-28(3)25-29(4)39(71-7)26-32-16-13-11-14-17-32)30(5)42(62)58-37(47(67)68)22-23-40(60)54-33(9-2)44(64)53-31(6)43(63)57-36/h9,11,13-14,16-17,20-21,25,29-31,34-39H,8,10,12,15,18-19,22-24,26-27H2,1-7H3,(H,53,64)(H,54,60)(H,55,61)(H,56,65)(H,57,63)(H,58,62)(H,59,66)(H,67,68)(H,69,70)(H4,50,51,52)/b21-20+,28-25+,33-9?/t29-,30-,31+,34-,35-,36-,37+,38+,39-/m0/s1 | ||||||||
| InChI Key | IHQWIGUDUPUIKA-JZRHOFFSSA-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 | ||||||||
