EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H34O4 |
| Net Charge | 0 |
| Average Mass | 350.499 |
| Monoisotopic Mass | 350.24571 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO |
| InChI | InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,12-13,20,22-23H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,13-12- |
| InChIKey | WNCUAIVHPMNYAK-LTKCOYKYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) (CHEBI:168264) is a 2-monoglyceride (CHEBI:17389) |
| MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) (CHEBI:168264) is a polyunsaturated fatty ester (CHEBI:145039) |
| IUPAC Name |
|---|
| 1,3-dihydroxypropan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0011541 | HMDB |
| 24765771 | ChemSpider |