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CHEBI:63166 - leukotriene D4(1−)

ChEBI IDCHEBI:63166
ChEBI Nameleukotriene D4(1−)
Stars
ASCII Nameleukotriene D4(1-)
DefinitionThe leukotriene anion that is the monoanion of leukotriene D4 arising from deprotonation of the two carboxy groups and protonation of the cysteinyl α-amino group.
Last Modified3 December 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H39N2O6S
Net Charge-1
Average Mass495.662
Monoisotopic Mass495.25343
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/p-1/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
InChIKeyYEESKJGWJFYOOK-IJHYULJSSA-M
ChEBI Ontology
Outgoing Relation(s)
leukotriene D4(1−) (CHEBI:63166) is a leukotriene anion (CHEBI:62942)
leukotriene D4(1−) (CHEBI:63166) is a peptide anion (CHEBI:60334)
leukotriene D4(1−) (CHEBI:63166) is conjugate base of leukotriene D4 (CHEBI:28666)
Incoming Relation(s)
leukotriene D4 (CHEBI:28666) is conjugate acid of leukotriene D4(1−) (CHEBI:63166)
IUPAC Names 
S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxylato-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinylglycinate
(5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-amino-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoate
Synonyms  Source
leukotriene D4 anionChEBI
leukotriene D4 monoanionChEBI
UniProt Name  Source
leukotriene D4UniProt