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CHEBI:133604 - leukotriene D3(1−)

ChEBI IDCHEBI:133604
ChEBI Nameleukotriene D3(1−)
Stars
ASCII Nameleukotriene D3(1-)
DefinitionA leukotriene anion that is the conjugate base of leukotriene D3 obtained by deprotonation of the two carboxy groups and protonation of the cysteinyl α-amino group; major species at pH 7.3.
Last Modified20 February 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC25H41N2O6S
Net Charge-1
Average Mass497.678
Monoisotopic Mass497.26908
SMILESCCCCCCCC/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/C25H42N2O6S/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/h9-13,16,20-22,28H,2-8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/p-1/b10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
InChIKeySBFPHBDUKAKWJL-OGQVOSTCSA-M
ChEBI Ontology
Outgoing Relation(s)
leukotriene D3(1−) (CHEBI:133604) is a dicarboxylic acid monoanion (CHEBI:35695)
leukotriene D3(1−) (CHEBI:133604) is a leukotriene anion (CHEBI:62942)
leukotriene D3(1−) (CHEBI:133604) is a peptide anion (CHEBI:60334)
IUPAC Name 
(5S,6R,7E,9E,11Z)-6-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5-hydroxyicosa-7,9,11-trienoate
Citations