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CHEBI:170309 - PA(18:4(6Z,9Z,12Z,15Z)/20:0)
| Formula | C41H73O8P |
| Net Charge | 0 |
| Average Mass | 725.001 |
| Monoisotopic Mass | 724.50431 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C41H73O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,25,27,39H,3-5,7,9-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3,(H2,44,45,46)/b8-6-,14-12-,21-18-,27-25-/t39-/m1/s1 |
| InChIKey | AYNHDSWURDCMRT-APWHBQGGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) |
| 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)/20:0) (CHEBI:170309) 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] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0115039 | HMDB |
| LMGP10010442 | LIPID MAPS |
| 74876783 | ChemSpider |