(2s,3s,4s,5r,6s)-6-[2-[[4-(3-amino-2-methylsulfanyl-3-oxopropyl)phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEM338438)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 03:31:15 UTC | ||||||||
| Update Date | 2026-08-31 03:31:15 UTC | ||||||||
| Accession Number | CHEM338438 | ||||||||
| Identification | |||||||||
| Common Name | (2s,3s,4s,5r,6s)-6-[2-[[4-(3-amino-2-methylsulfanyl-3-oxopropyl)phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H29N3O9S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 547.162 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1C2=C(C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O)N=C1COC4=CC=C(C=C4)CC(C(=O)N)SC | ||||||||
| InChI Identifier | InChI=1S/C25H29N3O9S/c1-28-16-10-14(36-25-21(31)19(29)20(30)22(37-25)24(33)34)7-8-15(16)27-18(28)11-35-13-5-3-12(4-6-13)9-17(38-2)23(26)32/h3-8,10,17,19-22,25,29-31H,9,11H2,1-2H3,(H2,26,32)(H,33,34)/t17?,19-,20-,21+,22-,25+/m0/s1 | ||||||||
| InChI Key | XIJFKAARBURGKF-JTBKRVEUSA-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 | |||||||||
| 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 | ||||||||
