EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:77500 - (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid
| Formula | C36H60O2 |
| Net Charge | 0 |
| Average Mass | 524.874 |
| Monoisotopic Mass | 524.45933 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O |
| InChI | InChI=1S/C36H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | XTVQYBHOOSVJTF-KUBAVDMBSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid (CHEBI:77500) is a hexatriacontahexaenoic acid (CHEBI:78937) |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid (CHEBI:77500) is a ω−3 fatty acid (CHEBI:25681) |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid (CHEBI:77500) is conjugate acid of (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoate (CHEBI:77217) |
| Incoming Relation(s) |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA (CHEBI:76688) has functional parent (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid (CHEBI:77500) |
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoate (CHEBI:77217) is conjugate base of (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid (CHEBI:77500) |
| IUPAC Name |
|---|
| (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-18,21,24,27,30,33-hexaenoic acid |
| Synonyms | Source |
|---|---|
| all-cis-hexatriaconta-18,21,24,27,30,33-hexaenoic acid | ChEBI |
| 36:6(18Z,21Z,24Z,27Z,30Z,33Z) | LIPID MAPS |
| 36:6(ω3) | LIPID MAPS |
| 36:6n3 | LIPID MAPS |
| 18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMFA01030843 | LIPID MAPS |