2-[hydroxy-[(2r)-3-hydroxy-2-[(z)-7-[(1r,4s,5r,6r)-6-[(e,3s)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium (CHEM344740)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 13:03:12 UTC | ||||||||
| Update Date | 2026-08-31 13:03:12 UTC | ||||||||
| Accession Number | CHEM344740 | ||||||||
| Identification | |||||||||
| Common Name | 2-[hydroxy-[(2r)-3-hydroxy-2-[(z)-7-[(1r,4s,5r,6r)-6-[(e,3s)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[hydroxy-[(2r)-3-hydroxy-2-[(z)-7-[(1r,4s,5r,6r)-6-[(e,3s)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium is a compound with the formula C28H51NO10P+. With an average molecular weight of 592.70 g/mol, 2-[hydroxy-[(2r)-3-hydroxy-2-[(z)-7-[(1r,4s,5r,6r)-6-[(e,3s)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H51NO10P+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 592.325 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[hydroxy-[(2r)-3-hydroxy-2-[(z)-7-[(1r,4s,5r,6r)-6-[(e,3s)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C)OO2)O | ||||||||
| InChI Identifier | InChI=1S/C28H50NO10P/c1-5-6-9-12-22(31)15-16-25-24(26-19-27(25)39-38-26)13-10-7-8-11-14-28(32)37-23(20-30)21-36-40(33,34)35-18-17-29(2,3)4/h7,10,15-16,22-27,30-31H,5-6,8-9,11-14,17-21H2,1-4H3/p+1/b10-7-,16-15+/t22-,23+,24+,25+,26-,27+/m0/s1 | ||||||||
| InChI Key | QNEYMHCJQNZTAZ-BWEJQOJRSA-O | ||||||||
| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
