| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-26 07:25:11 UTC |
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| Update Date | 2016-11-09 01:21:29 UTC |
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| Accession Number | CHEM036355 |
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| Identification |
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| Common Name | CPA(18:1(11Z)/0:0) |
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| Class | Small Molecule |
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| Description | Not Available |
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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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| (2-Hydroxy-2-oxo-1,3,2-dioxaphospholan-4-yl)methyl (11E)-octadec-11-enoic acid | Generator | | (2-Hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl (11E)-octadec-11-enoic acid | Generator |
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| Chemical Formula | C21H39O6P |
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| Average Molecular Mass | 418.511 g/mol |
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| Monoisotopic Mass | 418.248 g/mol |
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| CAS Registry Number | Not Available |
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| IUPAC Name | (2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl (11E)-octadec-11-enoate |
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| Traditional Name | (2-hydroxy-2-oxo-1,3,2λ⁵-dioxaphospholan-4-yl)methyl (11E)-octadec-11-enoate |
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| SMILES | [H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OCC1COP(O)(=O)O1 |
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| InChI Identifier | InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h7-8,20H,2-6,9-19H2,1H3,(H,23,24)/b8-7+ |
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| InChI Key | AXUULXHJKNFQON-BQYQJAHWSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1-acyl-sn-glycerol-2,3-cyclic-phosphates. These are monoacylglycerophosphates consisting of a sn-glycerol 2,3-cyclic phosphate that carries an acyl group at the 1-position. |
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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 | Glycerophosphates |
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| Direct Parent | 1-acyl-sn-glycerol-2,3-cyclic-phosphates |
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| Alternative Parents | |
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| Substituents | - 1-acyl-sn-glycerol-2,3-cyclic-phosphate
- Fatty acid ester
- Fatty acyl
- Organic phosphoric acid derivative
- 1,3_dioxaphospholane
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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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 | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-6860900000-7b9f9e0fb6d328dc2b8e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00kr-7981200000-65fc763c060142d76c7c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000l-7980000000-e3c7a00ed1b4af5d050d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-02ai-0190400000-ca044f42278ebdba95c1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01q9-2390000000-aa53f5054177b0038a5f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01t9-9020000000-6f5f472273d14f43ffca | Spectrum |
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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 | Not Available |
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| PubChem Compound ID | Not Available |
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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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