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CHEBI:133597 - leukotriene C3(2−)

ChEBI IDCHEBI:133597
ChEBI Nameleukotriene C3(2−)
Stars
ASCII Nameleukotriene C3(2-)
DefinitionA leukotriene anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl α-amino group of leukotriene C3; major species at pH 7.3.
Last Modified20 February 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC30H47N3O9S
Net Charge-2
Average Mass625.785
Monoisotopic Mass625.30440
SMILESCCCCCCCC/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C30H49N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h9-13,16,22-25,34H,2-8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/p-2/b10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
InChIKeyAIJDQMYBRDJHHT-ABAXQOPJSA-L
ChEBI Ontology
Outgoing Relation(s)
leukotriene C3(2−) (CHEBI:133597) is a leukotriene anion (CHEBI:62942)
leukotriene C3(2−) (CHEBI:133597) is a peptide anion (CHEBI:60334)
leukotriene C3(2−) (CHEBI:133597) is a tricarboxylic acid dianion (CHEBI:36300)
leukotriene C3(2−) (CHEBI:133597) is conjugate base of leukotriene C3 (CHEBI:134619)
Incoming Relation(s)
leukotriene C3 (CHEBI:134619) is conjugate acid of leukotriene C3(2−) (CHEBI:133597)
IUPAC Name 
(5S,6R,7E,9E,11Z)-6-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5-hydroxyicosa-7,9,11-trienoate
Synonym  Source
LTC3(2−)ChEBI
Citations