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CHEBI:132200 - 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2−)

ChEBI IDCHEBI:132200
ChEBI Name11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2−)
Stars
ASCII Name11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-)
DefinitionAn peptide anion obtained by deprotonation of the carboxylic acid groups and protonation of the amino group of 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid; major species at pH 7.3.
Last Modified13 June 2017
Submitternhn
DownloadsMolfile
FormulaC30H47N3O10S
Net Charge-2
Average Mass641.784
Monoisotopic Mass641.29931
SMILESCCCCC[C@H](O)[C@@H](/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)[O-])SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]
InChIInChI=1S/C30H49N3O10S/c1-2-3-9-13-24(35)25(17-15-21(34)12-10-7-5-4-6-8-11-14-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-16-22(31)30(42)43/h4,6-7,10,15,17,21-25,34-35H,2-3,5,8-9,11-14,16,18-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b6-4-,10-7-,17-15+/t21-,22-,23-,24-,25+/m0/s1
InChIKeyJHBHHPKTNQAMGQ-MHUJEVIJSA-L
ChEBI Ontology
Outgoing Relation(s)
11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2−) (CHEBI:132200) is a peptide anion (CHEBI:60334)
11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2−) (CHEBI:132200) is a tricarboxylic acid dianion (CHEBI:36300)
11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2−) (CHEBI:132200) is conjugate base of 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid (CHEBI:132883)
Incoming Relation(s)
11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid (CHEBI:132883) is conjugate acid of 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2−) (CHEBI:132200)
IUPAC Name 
(5Z,8Z,11S,12E,14R,15S)-14-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-11,15-dihydroxyicosa-5,8,12-trienoate
UniProt Name  Source
(11S,15S)-dihydroxy-14(R)-S-glutathionyl-(5Z,8Z,12E)-eicosatrienoateUniProt
Citations