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CHEBI:32428 - cetoleic acid
| Formula | C22H42O2 |
| Net Charge | 0 |
| Average Mass | 338.576 |
| Monoisotopic Mass | 338.31848 |
| SMILES | CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O |
| InChI | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11- |
| InChIKey | KJDZDTDNIULJBE-QXMHVHEDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daphnia tenebrosa (ncbitaxon:521141) | - | Article (Trophic transfer and trophic modification of fatty acids in high Arctic lakesHessen D., Liu E.Freshwater Biology (2006) 51, 1987-1998) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | Daphnia tenebrosa metabolite A Daphnia metabolite produced by the species Daphnia tenebrosa. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cetoleic acid (CHEBI:32428) has role Daphnia tenebrosa metabolite (CHEBI:83146) |
| cetoleic acid (CHEBI:32428) is a docosenoic acid (CHEBI:36031) |
| cetoleic acid (CHEBI:32428) is conjugate acid of cetoleate (CHEBI:32429) |
| Incoming Relation(s) |
| 1-icosyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86449) has functional parent cetoleic acid (CHEBI:32428) |
| 1-octadecyl-2-[(11Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86443) has functional parent cetoleic acid (CHEBI:32428) |
| ethyl (11Z)-docosenoate (CHEBI:84888) has functional parent cetoleic acid (CHEBI:32428) |
| cetoleate (CHEBI:32429) is conjugate base of cetoleic acid (CHEBI:32428) |
| cetoleoyl group (CHEBI:32430) is substituent group from cetoleic acid (CHEBI:32428) |
| IUPAC Name |
|---|
| (11Z)-docos-11-enoic acid |
| Synonyms | Source |
|---|---|
| (Z)-11-docosenoic acid | ChemIDplus |
| (Z)-docos-11-enoic acid | ChEBI |
| cis-Δ11-docosenoic acid | ChEBI |
| cis-11-docosenoic acid | ChEBI |
| Cetoleinsäure | ChEBI |
| 22:1, n-11 cis | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA01030088 | LIPID MAPS |
| HMDB0002884 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1728046 | Reaxys |
| CAS:1002-96-6 | ChemIDplus |
| Citations |
|---|