EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:32419 - gadoleic acid
| Formula | C20H38O2 |
| Net Charge | 0 |
| Average Mass | 310.522 |
| Monoisotopic Mass | 310.28718 |
| SMILES | CCCCCCCCCC/C=C\CCCCCCCC(=O)O |
| InChI | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11- |
| InChIKey | LQJBNNIYVWPHFW-QXMHVHEDSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chlamydomonas reinhardtii (ncbitaxon:3055) | |||
| - | PubMed (25515814) | ||
| - | MetaboLights (MTBLS208) | ||
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS313) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | algal metabolite Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gadoleic acid (CHEBI:32419) has role algal metabolite (CHEBI:84735) |
| gadoleic acid (CHEBI:32419) is a 9-icosenoic acid (CHEBI:180273) |
| gadoleic acid (CHEBI:32419) is conjugate acid of gadoleate (CHEBI:32420) |
| Incoming Relation(s) |
| 1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86432) has functional parent gadoleic acid (CHEBI:32419) |
| 1-octadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86438) has functional parent gadoleic acid (CHEBI:32419) |
| ethyl (9Z)-icosenoate (CHEBI:84864) has functional parent gadoleic acid (CHEBI:32419) |
| gadoleate (CHEBI:32420) is conjugate base of gadoleic acid (CHEBI:32419) |
| gadoleoyl group (CHEBI:32421) is substituent group from gadoleic acid (CHEBI:32419) |
| IUPAC Name |
|---|
| (9Z)-icos-9-enoic acid |
| Synonyms | Source |
|---|---|
| (Z)-eicos-9-enoic acid | ChEBI |
| cis-Δ9-eicosenoic acid | ChEBI |
| cis-9-eicosenoic acid | ChEBI |
| 9c-Eicosensäure | ChEBI |
| eicos-9c-enoic acid | ChEBI |
| Eicos-9c-ensäure | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA01030084 | LIPID MAPS |
| FDB003771 | FooDB |
| C00053190 | KNApSAcK |
| HMDB0062436 | HMDB |
| Gadoleic_acid | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1727308 | Reaxys |
| CAS:29204-02-2 | ChEBI |
| Citations |
|---|