EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H41O7P |
| Net Charge | 0 |
| Average Mass | 436.526 |
| Monoisotopic Mass | 436.25899 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)O |
| InChI | InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9- |
| InChIKey | ZOOLJLSXNRZLDH-KTKRTIGZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;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 Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LysoPA(0:0/18:1(9Z)) (CHEBI:170123) is a 2-acyl-sn-glycero-3-phosphate (CHEBI:17936) |
| IUPAC Name |
|---|
| (1-hydroxy-3-phosphonooxypropan-2-yl) (Z)-octadec-9-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0007851 | HMDB |
| 34980719 | ChemSpider |