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CHEBI:169900 - PS(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)
| Formula | C52H92NO10P |
| Net Charge | 0 |
| Average Mass | 922.279 |
| Monoisotopic Mass | 921.64588 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C52H92NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(55)63-48(46-61-64(58,59)62-47-49(53)52(56)57)45-60-50(54)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,48-49H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-47,53H2,1-2H3,(H,56,57)(H,58,59)/b8-6-,14-12-,20-18-,27-25-,33-31-/t48-,49+/m1/s1 |
| InChIKey | MKSYSIVIOHRRGR-WYCZAFIYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PS(22:5(7Z,10Z,13Z,16Z,19Z)/24:0) (CHEBI:169900) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-tetracosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 74876305 | ChemSpider |
| HMDB0112862 | HMDB |