Leukotriene B4
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
Molecular Identity
Leukotriene B4
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
PubChem CID: 5280492
Leukotriene B4 is a leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway. It has a role as a vasoconstrictor agent, a mouse metabolite, a plant metabolite and a human metabolite. It is a hydroxy polyunsaturated fatty acid, a long-chain fatty acid, a leukotriene and a dihydroxy monocarboxylic acid. It is functionally related to an icosa-6,8,10,14-tetraenoic acid. It is a conjugate acid of a leukotriene B4(1-).
2D Structure
Properties
C20H32O4
Molecular Formula
336.50
Molecular Weight
g/mol
336.2301
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
77.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
421
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)OIsomeric SMILES
SMILES: CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)OSynonyms(20)
LEUKOTRIENE B4LTB471160-24-25,12-Hete(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acidLEUKOTRIENE_B41HGW4DR56D5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid5S,12R-diHETEDTXSID4037162CHEBI:15647(6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoateLeukotriene B5,12 diHETELeukotriene B 4
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Leukotriene B4
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