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CHEBI:170197 - PA(18:3(6Z,9Z,12Z)/18:0)
| Formula | C39H71O8P |
| Net Charge | 0 |
| Average Mass | 698.963 |
| Monoisotopic Mass | 698.48866 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C39H71O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,37H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3,(H2,42,43,44)/b13-11-,19-17-,25-23-/t37-/m1/s1 |
| InChIKey | GHGLALAOUVMIGG-VWDIIEQPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| 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(18:3(6Z,9Z,12Z)/18:0) (CHEBI:170197) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089) |
| IUPAC Name |
|---|
| [(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 74876725 | ChemSpider |
| HMDB0114978 | HMDB |
| LMGP10010375 | LIPID MAPS |