EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C46H90NO9P |
| Net Charge | 0 |
| Average Mass | 832.198 |
| Monoisotopic Mass | 831.63532 |
| SMILES | CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C46H90NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(48)56-43(41-54-57(51,52)55-42-44(47)46(49)50)40-53-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h37,39,43-44H,3-36,38,40-42,47H2,1-2H3,(H,49,50)(H,51,52)/b39-37-/t43-,44+/m1/s1 |
| InChIKey | IQDGBOZPOYBNGJ-ZJLVNTSXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3725) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PS(P-18:0/22:0) (CHEBI:184223) is a ether lipid (CHEBI:64611) |
| PS(P-18:0/22:0) (CHEBI:184223) is a glycerophosphoserine (CHEBI:35766) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[[(2R)-2-docosanoyloxy-3-[(Z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 113376710 | ChemSpider |
| LMGP03030052 | LIPID MAPS |