leukotriene D4
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Molecular Identity
leukotriene D4
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
PubChem CID: 5280878
Leukotriene D4 is a leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and a L-cysteinylglycinyl group at position 6 (6R). It has a role as a bronchoconstrictor agent, a mouse metabolite and a human metabolite. It is an organic sulfide, a leukotriene and a dipeptide. It is functionally related to an icosa-7,9,11,14-tetraenoic acid. It is a conjugate acid of a leukotriene D4(1-).
2D Structure
Properties
C25H40N2O6S
Molecular Formula
496.70
Molecular Weight
g/mol
496.2607
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
175
TPSA
May have limited oral absorption
5
H-Bond Donors
8
H-Bond Acceptors
706
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
leukotriene D473836-78-9LTD4Leukotriene D5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid5FNY4416UEDTXSID6040533CHEBI:28666(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid(R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)glycineGlycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)-, (R-(R*,S*-(E,E,Z,Z)))-S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinylglycineLeukotriene D 4Leukotriene D-4(5S,6R,7E,9E,11Z,14Z)-6-((2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Data from PubChem (NCBI)
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