EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:140413 - (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−)
| Formula | C25H36NO6S |
| Net Charge | -1 |
| Average Mass | 478.631 |
| Monoisotopic Mass | 478.22688 |
| SMILES | CC/C=C\C[C@H](O)/C=C/C=C\C=CC=C[C@H](SC[C@H]([NH3+])C(=O)[O-])[C@H](O)C/C=C\CCC(=O)[O-] |
| InChI | InChI=1S/C25H37NO6S/c1-2-3-9-14-20(27)15-10-6-4-5-7-12-17-23(33-19-21(26)25(31)32)22(28)16-11-8-13-18-24(29)30/h3-12,15,17,20-23,27-28H,2,13-14,16,18-19,26H2,1H3,(H,29,30)(H,31,32)/p-1/b6-4-,7-5?,9-3-,11-8-,15-10+,17-12?/t20-,21-,22+,23-/m0/s1 |
| InChIKey | XNFVDGDQGGSJGD-JBUAYWKOSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140413) is a dicarboxylic acid monoanion (CHEBI:35695) |
| (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140413) is a docosanoid anion (CHEBI:131864) |
| (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140413) is conjugate base of (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140270) |
| Incoming Relation(s) |
| (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140270) is conjugate acid of (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140413) |
| IUPAC Name |
|---|
| (4Z,7R,8S,13Z,15E,17S,19Z)-8-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-7,17-dihydroxydocosa-4,9,11,13,15,19-hexaenoate |
| Synonyms | Source |
|---|---|
| resolvin conjugate in tissue regeneration 3(1−) | ChEBI |
| 8-cysteinyl-7,17-dihydroxydocosahexaenoate(1−) | ChEBI |
| RCTR3(1−) | ChEBI |