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CHEBI:63985 - eoxin D4

ChEBI IDCHEBI:63985
ChEBI Nameeoxin D4
Stars
ASCII Nameeoxin D4
DefinitionA leukotriene that is the 14R-(S-cysteinylglycyl),15S-hydroxy derivative of (5Z,8Z,10E,12E)-icosa-7,9,11,14-tetraenoic acid.
Last Modified21 May 2012
Submittermwilliams
DownloadsMolfile
FormulaC25H40N2O6S
Net Charge0
Average Mass496.670
Monoisotopic Mass496.26071
SMILESCCCCC[C@H](O)[C@@H](/C=C/C=C/C=C\C/C=C\CCCC(=O)O)SC[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C25H40N2O6S/c1-2-3-12-15-21(28)22(34-19-20(26)25(33)27-18-24(31)32)16-13-10-8-6-4-5-7-9-11-14-17-23(29)30/h4,6-10,13,16,20-22,28H,2-3,5,11-12,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b6-4-,9-7-,10-8+,16-13+/t20-,21-,22+/m0/s1
InChIKeyBUTLPEVGZIRJOA-SPCGXPCUSA-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 D4 (CHEBI:63985) has functional parent (5Z,8Z,10E,12E)-icosatetraenoic acid (CHEBI:64014)
eoxin D4 (CHEBI:63985) has role metabolite (CHEBI:25212)
eoxin D4 (CHEBI:63985) is a eoxin (CHEBI:193574)
eoxin D4 (CHEBI:63985) is a leukotriene (CHEBI:25029)
IUPAC Name 
S-[(6S,7R,8E,10E,12Z,15Z)-19-carboxy-6-hydroxynonadeca-8,10,12,15-tetraen-7-yl]-L-cysteinylglycine
Synonyms  Source
EXD4SUBMITTER
14,15-Leukotriene D4SUBMITTER
14,15-LTD4SUBMITTER
15S-hydroxy,14R-(S-cysteinylglycinyl)-5Z,8Z,10E,12E-eicosatetraenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA03020032LIPID MAPS
US2009247634Patent
WO2008001079Patent
Registry NumbersSources
Reaxys:5662543Reaxys