Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 13:04:45 UTC |
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Update Date | 2016-11-09 01:21:52 UTC |
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Accession Number | CHEM038379 |
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Identification |
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Common Name | PE(18:1(9Z)/18:1(9Z)) |
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Class | Small Molecule |
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Description | A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both acyl substituents are specified as (9E)-octadecenoyl. |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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PE(18:1(9E)/18:1(9E)) | ChEBI | PE(18:1/18:1) | ChEBI | 1-2-DOPE | MeSH | 1,2-Dioleoylphosphatidylethanolamine | MeSH | 1,2-Dielaidoylphosphatidylethanolamine | MeSH | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine | MeSH | 1-2-Di-(9-octadecenoyl)-sn-glycero-3-phosphoethethanolamine | MeSH | Lipofectin | MeSH | Dioleoyl cephalin | MeSH | 1,2-Dioleoylglycero-3-phosphoethanolamine | MeSH | 1,2-DOPE | MeSH | [(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-[(e)-octadec-9-enoyl]oxypropyl] (e)-octadec-9-enoic acid | Generator | DOPE | MeSH | 1,2-Dioleoyl-L-alpha-glycero-3-phosphatidyl ethanolamine | MeSH | 1,2-Dioleoyl-glycero-3-phosphatidyl ethanolamine | MeSH |
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Chemical Formula | C41H78NO8P |
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Average Molecular Mass | 744.048 g/mol |
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Monoisotopic Mass | 743.547 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | (2-aminoethoxy)[(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy]phosphinic acid |
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Traditional Name | 2-aminoethoxy((2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy)phosphinic acid |
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SMILES | [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C([H])=C(/[H])CCCCCCCC |
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InChI Identifier | InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17+,20-18+/t39-/m1/s1 |
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InChI Key | MWRBNPKJOOWZPW-GPADLTIESA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerophospholipids |
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Sub Class | Glycerophosphoethanolamines |
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Direct Parent | Phosphatidylethanolamines |
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Alternative Parents | |
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Substituents | - Diacylglycero-3-phosphoethanolamine
- Phosphoethanolamine
- Fatty acid ester
- Dialkyl phosphate
- Dicarboxylic acid or derivatives
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Amino acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Amine
- Primary aliphatic amine
- Organic nitrogen compound
- Primary amine
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Not Available |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | 84844 |
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PubChem Compound ID | 9546744 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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