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CHEBI:170275 - PA(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
| Formula | C41H71O8P |
| Net Charge | 0 |
| Average Mass | 722.985 |
| Monoisotopic Mass | 722.48866 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C41H71O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,39H,3-10,15-16,20,24-38H2,1-2H3,(H2,44,45,46)/b13-11-,14-12-,19-17-,21-18-,23-22-/t39-/m1/s1 |
| InChIKey | QUGWSTXSPNJMBE-YRMMAIRTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Roles Classification |
|---|
| Biological Role: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PA(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) (CHEBI:170275) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089) |
| IUPAC Name |
|---|
| [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0115495 | HMDB |
| LMGP10010600 | LIPID MAPS |
| 74877233 | ChemSpider |