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CHEBI:138601 - 4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid
| Formula | C22H32O5 |
| Net Charge | 0 |
| Average Mass | 376.493 |
| Monoisotopic Mass | 376.22497 |
| SMILES | CC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](CCC(=O)O)OO |
| InChI | InChI=1S/C22H32O5/c1-2-3-12-15-20(23)16-13-10-8-6-4-5-7-9-11-14-17-21(27-26)18-19-22(24)25/h3-5,8-14,16-17,20-21,23,26H,2,6-7,15,18-19H2,1H3,(H,24,25)/b5-4-,10-8-,11-9-,12-3-,16-13+,17-14+/t20-,21-/m1/s1 |
| InChIKey | ZKUDWLWHTKEJGJ-VDOHSOROSA-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: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid (CHEBI:138601) has role metabolite (CHEBI:25212) |
| 4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid (CHEBI:138601) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832) |
| 4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid (CHEBI:138601) is a hydroxydocosahexaenoic acid (CHEBI:72790) |
| IUPAC Name |
|---|
| (4S,5E,7Z,10Z,13Z,15E,17R,19Z)-4-hydroperoxy-17-hydroxydocosa-5,7,10,13,15,19-hexaenoic acid |
| Synonyms | Source |
|---|---|
| 4(S)-Hp-17(R)-HDHA | SUBMITTER |
| 4S-hydroperoxy-17R-hydroxy-DHA | ChEBI |
| 4S-hydroperoxy-17R-HDHA | ChEBI |
| 4(S)-hydroperoxy-17(R)-HDHA | ChEBI |
| Citations |
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