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CHEBI:186505 - PA(19:1(9Z)/22:2(13Z,16Z))
| Formula | C44H81O8P |
| Net Charge | 0 |
| Average Mass | 769.098 |
| Monoisotopic Mass | 768.56691 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)(O)O |
| InChI | InChI=1S/C44H81O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,24,42H,3-10,12,14-16,18,21-23,25-41H2,1-2H3,(H2,47,48,49)/b13-11-,19-17-,24-20-/t42-/m1/s1 |
| InChIKey | XZVPNSBCQQBZLB-RNDHPGFTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| Roles Classification |
|---|
| Biological Role: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PA(19:1(9Z)/22:2(13Z,16Z)) (CHEBI:186505) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089) |
| IUPAC Name |
|---|
| [(2R)-1-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| 113379140 | ChemSpider |
| LMGP10010506 | LIPID MAPS |