CHEBI:140413 - (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−)

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ChEBI Name (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−)
ChEBI ID CHEBI:140413
ChEBI ASCII Name (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1-)
Definition A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the α-amino group of (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H36NO6S
Net Charge -1
Average Mass 478.623
Monoisotopic Mass 478.22688
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
SMILES C(C=C/C=C\C=C\[C@H](C/C=C\CC)O)=C[C@@H]([C@@H](C/C=C\CCC([O-])=O)O)SC[C@H]([NH3+])C(=O)[O-]
ChEBI Ontology
Outgoing (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 (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 Sources
8-cysteinyl-7,17-dihydroxydocosahexaenoate(1−) ChEBI
RCTR3(1−) ChEBI
resolvin conjugate in tissue regeneration 3(1−) ChEBI
Last Modified
12 March 2018