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CHEBI:170490 - PA(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
| Formula | C43H73O8P |
| Net Charge | 0 |
| Average Mass | 749.023 |
| Monoisotopic Mass | 748.50431 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C43H73O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,27,29,41H,3-5,7,9-10,15-16,20-22,24-26,28,30-40H2,1-2H3,(H2,46,47,48)/b8-6-,13-11-,14-12-,19-17-,23-18-,29-27-/t41-/m1/s1 |
| InChIKey | ATCLUEPEJCGHAJ-XZWWLZSZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | 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(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) (CHEBI:170490) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089) |
| IUPAC Name |
|---|
| [(2R)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0115047 | HMDB |
| LMGP10010451 | LIPID MAPS |
| 74876791 | ChemSpider |