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CHEBI:230870 - PE(22:2(13Z,16Z)/18:1(12Z)-2OH(9,10))
| Formula | C45H84NO10P |
| Net Charge | 0 |
| Average Mass | 830.138 |
| Monoisotopic Mass | 829.58328 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC[C@H](O)[C@@H](O)C/C=C\CCCCC |
| InChI | InChI=1S/C45H84NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31-35-44(49)53-39-41(40-55-57(51,52)54-38-37-46)56-45(50)36-32-28-24-26-30-34-43(48)42(47)33-29-25-10-8-6-4-2/h11-12,14-15,25,29,41-43,47-48H,3-10,13,16-24,26-28,30-40,46H2,1-2H3,(H,51,52)/b12-11-,15-14-,29-25-/t41-,42+,43+/m1/s1 |
| InChIKey | JIAXSUZEVQCEDM-HBNGNAIWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(22:2(13Z,16Z)/18:1(12Z)-2OH(9,10)) (CHEBI:230870) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z,9S,10S)-9,10-dihydroxyoctadec-12-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0283976 | HMDB |