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CHEBI:63984 - eoxin C4

ChEBI IDCHEBI:63984
ChEBI Nameeoxin C4
Stars
ASCII Nameeoxin C4
DefinitionA leukotriene that is the 14R-(S-glutathionyl),15S-hydroxy derivative of (5Z,8Z,10E,12E)-icosa-7,9,11,14-tetraenoic acid.
Last Modified21 May 2012
Submittermwilliams
DownloadsMolfile
FormulaC30H47N3O9S
Net Charge0
Average Mass625.785
Monoisotopic Mass625.30330
SMILESCCCCC[C@H](O)[C@@H](/C=C/C=C/C=C\C/C=C\CCCC(=O)O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C30H47N3O9S/c1-2-3-12-15-24(34)25(16-13-10-8-6-4-5-7-9-11-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h4,6-10,13,16,22-25,34H,2-3,5,11-12,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b6-4-,9-7-,10-8+,16-13+/t22-,23-,24-,25+/m0/s1
InChIKeyOBQVBASHEWLKCQ-PKBWNXTMSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
eoxin C4 (CHEBI:63984) has functional parent (5Z,8Z,10E,12E)-icosatetraenoic acid (CHEBI:64014)
eoxin C4 (CHEBI:63984) has functional parent glutathione (CHEBI:16856)
eoxin C4 (CHEBI:63984) has role metabolite (CHEBI:25212)
eoxin C4 (CHEBI:63984) is a eoxin (CHEBI:193574)
eoxin C4 (CHEBI:63984) is a leukotriene (CHEBI:25029)
IUPAC Name 
L-γ-glutamyl-S-[(6S,7R,8E,10E,12Z,15Z)-19-carboxy-6-hydroxynonadeca-8,10,12,15-tetraen-7-yl]-L-cysteinylglycine
Synonyms  Source
EXC4SUBMITTER
14,15-Leukotriene C4SUBMITTER
14,15-LTC4SUBMITTER
15S-hydroxy,14R-(S-glutathionyl)-5Z,8Z,10E,12E-eicosatetraenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA03020031LIPID MAPS
US2009247634Patent
WO2008001079Patent
Registry NumbersSources
Reaxys:19521975Reaxys
Citations