2-[3-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propanoylamino]ethanesulfonic acid (CHEM311004)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 12:21:40 UTC | ||||||||
| Update Date | 2026-08-29 12:21:40 UTC | ||||||||
| Accession Number | CHEM311004 | ||||||||
| Identification | |||||||||
| Common Name | 2-[3-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propanoylamino]ethanesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H31NO7S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 405.182 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[3-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propanoylamino]ethanesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCC(C=CC1C(CC(=O)C1CCC(=O)NCCS(=O)(=O)O)O)O | ||||||||
| InChI Identifier | InChI=1S/C18H31NO7S/c1-2-3-4-5-13(20)6-7-14-15(17(22)12-16(14)21)8-9-18(23)19-10-11-27(24,25)26/h6-7,13-16,20-21H,2-5,8-12H2,1H3,(H,19,23)(H,24,25,26)/b7-6+/t13-,14+,15+,16+/m0/s1 | ||||||||
| InChI Key | OPVIGBXAMWSXCD-BRDXMMLSSA-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 | ||||||||
