CHEBI:63166 - leukotriene D4(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name leukotriene D4(1−)
ChEBI ID CHEBI:63166
ChEBI ASCII Name leukotriene D4(1-)
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C25H39N2O6S
Net Charge -1
Average Mass 495.65300
Monoisotopic Mass 495.25343
InChI InChI=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
InChIKey YEESKJGWJFYOOK-IJHYULJSSA-M
SMILES CCCCC\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
ChEBI Ontology
Outgoing 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 leukotriene D4 (CHEBI:28666) is conjugate acid of leukotriene D4(1−) (CHEBI:63166)
IUPAC Names
(5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-amino-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoate
S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxylato-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinylglycinate
Synonyms Sources
leukotriene D4 UniProt
leukotriene D4 anion ChEBI
leukotriene D4 monoanion ChEBI
Last Modified
03 December 2015