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CHEBI:170189 - PA(18:0/18:3(6Z,9Z,12Z))
| 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)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O |
| 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/h12,14,18,20,24,26,37H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H2,42,43,44)/b14-12-,20-18-,26-24-/t37-/m1/s1 |
| InChIKey | SUSLYXMZVULDQY-NSXWPADESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | 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(18:0/18:3(6Z,9Z,12Z)) (CHEBI:170189) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089) |
| IUPAC Name |
|---|
| [(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropyl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0114878 | HMDB |
| LMGP10010313 | LIPID MAPS |
| 74876640 | ChemSpider |