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CHEBI:90494 - N-(11Z-icosenoyl)-sphingosine-1-phosphocholine
| Formula | C43H85N2O6P |
| Net Charge | 0 |
| Average Mass | 757.135 |
| Monoisotopic Mass | 756.61453 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC |
| InChI | InChI=1S/C43H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,34,36,41-42,46H,6-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b21-20-,36-34+/t41-,42+/m0/s1 |
| InChIKey | MDRFMTLYKHBJTF-NQYLGBTJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS143) |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(11Z-icosenoyl)-sphingosine-1-phosphocholine (CHEBI:90494) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425) |
| N-(11Z-icosenoyl)-sphingosine-1-phosphocholine (CHEBI:90494) has role mouse metabolite (CHEBI:75771) |
| N-(11Z-icosenoyl)-sphingosine-1-phosphocholine (CHEBI:90494) is a sphingomyelin 38:2 (CHEBI:72524) |
| N-(11Z-icosenoyl)-sphingosine-1-phosphocholine (CHEBI:90494) is a sphingomyelin d18:1 (CHEBI:17636) |
| IUPAC Name |
|---|
| (2S,3R,4E)-3-hydroxy-2-{[(11Z)-icos-11-enoyl]amino}octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate |
| Synonyms | Source |
|---|---|
| SM d18:1/20:1 | ChEBI |
| SM(d18:1/20:1) | LIPID MAPS |
| N-(11Z-eicosenoyl)-sphingosine-1-phosphocholine | ChEBI |
| N-(11Z-eicosenoyl)-sphing-4-enine-1-phosphocholine | ChEBI |
| N-(11Z-icosenoyl)-sphing-4-enine-1-phosphocholine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMSP03010059 | LIPID MAPS |