EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C49H96NO8P |
| Net Charge | 0 |
| Average Mass | 858.280 |
| Monoisotopic Mass | 857.68736 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h17,19,47H,3-16,18,20-46,50H2,1-2H3,(H,53,54)/b19-17-/t47-/m1/s1 |
| InChIKey | CIZWOIPPQITKAD-YMTWRDBNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein [LBO:0000132] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(24:1(15Z)/20:0) (CHEBI:184395) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-icosanoyloxypropyl] (Z)-tetracos-15-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009757 | HMDB |
| 24769197 | ChemSpider |