[D-Asp3,Ser7]MC-HtyR (CHEM120614)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:35:55 UTC | ||||||||
| Update Date | 2026-05-21 08:46:51 UTC | ||||||||
| Accession Number | CHEM120614 | ||||||||
| Identification | |||||||||
| Common Name | [D-Asp3,Ser7]MC-HtyR | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C51H72N10O14 | ||||||||
| Average Molecular Mass | 1049.193 g/mol | ||||||||
| Monoisotopic Mass | 1048.523 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2S,5R,8S,11R,15S,18S,19S,22R)-15-(3-guanidinopropyl)-2-(hydroxymethyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,19-dimethyl-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 | [H][C@@](CC1=CC=CC=C1)(OC)[C@@H](C)\C=C(/C)\C=C\[C@]1([H])NC(=O)[C@]([H])(CCCN=C(N)N)NC(=O)C[C@@]([H])(NC(=O)[C@]([H])(CCC2=CC=C(O)C=C2)NC(=O)[C@@H](C)NC(=O)[C@]([H])(CO)NC(=O)CC[C@@]([H])(NC(=O)[C@H]1C)C(O)=O)C(O)=O | ||||||||
| InChI Identifier | InChI=1S/C51H72N10O14/c1-28(24-29(2)41(75-5)25-33-10-7-6-8-11-33)13-19-35-30(3)44(66)60-38(49(71)72)21-22-42(64)57-40(27-62)48(70)55-31(4)45(67)59-37(20-16-32-14-17-34(63)18-15-32)47(69)61-39(50(73)74)26-43(65)56-36(46(68)58-35)12-9-23-54-51(52)53/h6-8,10-11,13-15,17-19,24,29-31,35-41,62-63H,9,12,16,20-23,25-27H2,1-5H3,(H,55,70)(H,56,65)(H,57,64)(H,58,68)(H,59,67)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,52,53,54)/b19-13+,28-24+/t29-,30-,31+,35-,36-,37-,38+,39+,40-,41-/m0/s1 | ||||||||
| InChI Key | OAOGBTSKBZVXOB-FQYRTJBPSA-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 | ||||||||
