EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C55H102O6 |
| Net Charge | 0 |
| Average Mass | 859.415 |
| Monoisotopic Mass | 858.76764 |
| SMILES | [H][C@@](COC(=O)CCCCCCC/C=C\CCCCCC)(COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h19,21-22,24,52H,4-18,20,23,25-51H2,1-3H3/b22-19-,24-21-/t52-/m1/s1 |
| InChIKey | QOKAQJJBGBHKQF-BHSMRSOWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood (UBERON:0000178) | PubMed (20671299) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(16:1(9Z)/18:0/18:1(11Z))[iso6] (CHEBI:89020) is a triglyceride (CHEBI:17855) |
| Synonyms | Source |
|---|---|
| (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecanoyloxy)propyl (11Z)-octadec-11-enoate | HMDB |
| Triglyceride | HMDB |
| TAG(16:1/18:0/18:1) | HMDB |
| Tracylglycerol(16:1n7/18:0/18:1n7) | HMDB |
| Tracylglycerol(16:1w7/18:0/18:1w7) | HMDB |
| TG(52:2) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0010425 | HMDB |
| Citations |
|---|