EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C57H94O6 |
| Net Charge | 0 |
| Average Mass | 875.373 |
| Monoisotopic Mass | 874.70504 |
| SMILES | [H]C(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,37-38,40-41,54H,4-15,18,21-23,28-29,34-36,39,42-53H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38- |
| InChIKey | DVRTXZUHGFUXSB-RJHNFHBASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso3] (CHEBI:143983) is a triacylglycerol 54:8 (CHEBI:85837) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0010518 | HMDB |