4-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfobutanoic acid (CHEM058780)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-02 22:42:53 UTC | ||||||||
| Update Date | 2026-08-31 08:32:36 UTC | ||||||||
| Accession Number | CHEM058780 | ||||||||
| Identification | |||||||||
| Common Name | 4-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfobutanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfobutanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It has the formula C26H47N1O9S1. With an average molecular weight of 549.70 g/mol, 4-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfobutanoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C26H47N1O9S1 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 549.297 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfobutanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOC(=O)C(CC(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-26(31)23(22-25(29)30)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,29,30)(H,32,33,34);;/q;2*+1/p-2/b10-9-;; | ||||||||
| InChI Key | KRDWEPGKSTVSDB-KTKRTIGZSA-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 | ||||||||
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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 | ||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
