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CHEBI:136275 - N-(docosanoyl)heptadecasphingosine-1-phosphocholine
| Formula | C44H89N2O6P |
| Net Charge | 0 |
| Average Mass | 773.178 |
| Monoisotopic Mass | 772.64583 |
| SMILES | CCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1 |
| InChIKey | BEHLQMQPYDCEFC-QVDCKBILSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Papio hamadryas (ncbitaxon:9557) | - | MetaboLights (MTBLS426) |
| Roles Classification |
|---|
| Biological Role: | Papio hamadryas metabolite Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(docosanoyl)heptadecasphingosine-1-phosphocholine (CHEBI:136275) has functional parent C17 sphingosine (CHEBI:74220) |
| N-(docosanoyl)heptadecasphingosine-1-phosphocholine (CHEBI:136275) has functional parent docosanoic acid (CHEBI:28941) |
| N-(docosanoyl)heptadecasphingosine-1-phosphocholine (CHEBI:136275) has role Papio hamadryas metabolite (CHEBI:137684) |
| N-(docosanoyl)heptadecasphingosine-1-phosphocholine (CHEBI:136275) is a sphingomyelin 39:1 (CHEBI:85761) |
| IUPAC Name |
|---|
| (2S,3R,4E)-2-(docosanoylamino)-3-hydroxyheptadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate |
| Synonyms | Source |
|---|---|
| N-(docosanoyl)heptadecasphing-4-enine-1-phosphocholine | ChEBI |
| SM(d17:1/22:0) | ChEBI |
| sphingomyelin d17:1/22:0 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMSP03010066 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:20856796 | Reaxys |