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CHEBI:131661 - 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine
| Formula | C42H82NO9P |
| Net Charge | 0 |
| Average Mass | 776.090 |
| Monoisotopic Mass | 775.57272 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC1OC1CCCCCCCC |
| InChI | InChI=1S/C42H82NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-24-28-32-41(44)48-36-38(37-50-53(46,47)49-35-34-43(3,4)5)51-42(45)33-29-25-21-23-27-31-40-39(52-40)30-26-22-13-11-9-7-2/h38-40H,6-37H2,1-5H3/t38-,39?,40?/m1/s1 |
| InChIKey | GSWLBFLGSWEXML-YXGYHMDESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | |||
| - | MetaboLights (MTBLS334) | ||
| - | PubMed (27471436) |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) has functional parent 9,10-epoxyoctadecanoic acid (CHEBI:85661) |
| 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) has functional parent hexadecanoic acid (CHEBI:15756) |
| 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) has role mouse metabolite (CHEBI:75771) |
| 1-hexadecanoyl-2-(9,10-epoxyoctadecanoyl)-sn-glycero-3-phosphocholine (CHEBI:131661) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| IUPAC Name |
|---|
| 3-(hexadecanoyloxy)-2-{[8-(3-octyloxiran-2-yl)octanoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate |
| Synonyms | Source |
|---|---|
| 1-palmitoyl-2-(9,10-epoxystearoyl)phosphatidylcholine | ChEBI |
| 1-palmitoyl-2-(9,10-epoxystearoyl)-sn-glycero-3-phosphocholine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 117719 | ChemSpider |
| Citations |
|---|