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CHEBI:72589 - 1-elaidoyl-sn-glycero-3-phosphocholine
| Formula | C26H52NO7P |
| Net Charge | 0 |
| Average Mass | 521.676 |
| Monoisotopic Mass | 521.34814 |
| SMILES | [H][C@@](O)(COC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12+/t25-/m1/s1 |
| InChIKey | YAMUFBLWGFFICM-ZOGNMOHXSA-N |
| Roles Classification |
|---|
| Biological Roles: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-elaidoyl-sn-glycero-3-phosphocholine (CHEBI:72589) has role epitope (CHEBI:53000) |
| 1-elaidoyl-sn-glycero-3-phosphocholine (CHEBI:72589) is a lysophosphatidylcholine (18:1/0:0) (CHEBI:131739) |
| IUPAC Name |
|---|
| (2R)-2-hydroxy-3-[(9E)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate |
| Synonyms | Source |
|---|---|
| (2R)-2-hydroxy-3-[(9E)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | IUPAC |
| (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| LSC | PDBeChem |
| Citations |
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