EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H31O4 |
| Net Charge | -1 |
| Average Mass | 311.442 |
| Monoisotopic Mass | 311.22278 |
| SMILES | CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)[O-])OO |
| InChI | InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+/t17-/m0/s1 |
| InChIKey | JGUNZIWGNMQSBM-WXUVIADPSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9(R)-HPODE(1−) (CHEBI:63323) is a 9-HPODE(1−) (CHEBI:146293) |
| 9(R)-HPODE(1−) (CHEBI:63323) is a HPODE(1−) (CHEBI:131862) |
| 9(R)-HPODE(1−) (CHEBI:63323) is a monocarboxylic acid anion (CHEBI:35757) |
| 9(R)-HPODE(1−) (CHEBI:63323) is conjugate base of 9(R)-HPODE (CHEBI:63331) |
| 9(R)-HPODE(1−) (CHEBI:63323) is enantiomer of 9(S)-HPODE(1−) (CHEBI:60955) |
| Incoming Relation(s) |
| 9(R)-HPODE (CHEBI:63331) is conjugate acid of 9(R)-HPODE(1−) (CHEBI:63323) |
| 9(S)-HPODE(1−) (CHEBI:60955) is enantiomer of 9(R)-HPODE(1−) (CHEBI:63323) |
| IUPAC Name |
|---|
| (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate |
| UniProt Name | Source |
|---|---|
| (9R)-hydroperoxy-(10E,12Z)-octadecadienoate | UniProt |
| Registry Numbers | Sources |
|---|---|
| CAS:67597-24-4 | Reaxys |
| Citations |
|---|