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CHEBI:140412 - (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−)

ChEBI IDCHEBI:140412
ChEBI Name(8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−)
Stars
ASCII Name(8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1-)
DefinitionA docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the α-amino group of (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.
Last Modified12 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC27H39N2O7S
Net Charge-1
Average Mass535.683
Monoisotopic Mass535.24835
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C=CC=C[C@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@H](O)C/C=C\CCC(=O)[O-]
InChIInChI=1S/C27H40N2O7S/c1-2-3-9-14-21(30)15-10-6-4-5-7-12-17-24(23(31)16-11-8-13-18-25(32)33)37-20-22(28)27(36)29-19-26(34)35/h3-12,15,17,21-24,30-31H,2,13-14,16,18-20,28H2,1H3,(H,29,36)(H,32,33)(H,34,35)/p-1/b6-4-,7-5?,9-3-,11-8-,15-10+,17-12?/t21-,22-,23+,24-/m0/s1
InChIKeyRJHKUGKYEOVVKD-HTWGBIMLSA-M
ChEBI Ontology
Outgoing Relation(s)
(8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140412) is a dicarboxylic acid monoanion (CHEBI:35695)
(8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140412) is a docosanoid anion (CHEBI:131864)
(8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140412) is a peptide anion (CHEBI:60334)
(8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140412) is conjugate base of (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140269)
Incoming Relation(s)
(8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140269) is conjugate acid of (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1−) (CHEBI:140412)
IUPAC Name 
(4Z,7R,8S,13Z,15E,17S,19Z)-8-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-7,17-dihydroxydocosa-4,9,11,13,15,19-hexaenoate
Synonyms  Source
RCTR2(1−)ChEBI
8-cysteinylglycinyl-7,17-dihydroxydocosahexaenoate(1−)ChEBI
resolvin conjugate in tissue regeneration 2(1−)ChEBI