Molecular Identity
5,8,11-Eicosatriynoic acid
icosa-5,8,11-triynoic acid
PubChem CID: 1781
5,8,11-icosatriynoic acid is a C20 polyunsaturated fatty acid having three triple bonds in the 5-, 8- and 11-positions. It has a role as an EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor. It is a long-chain fatty acid, an icosanoid, an acetylenic fatty acid and a polyunsaturated fatty acid.
2D Structure
Properties
C20H28O2
Molecular Formula
300.40
Molecular Weight
g/mol
300.2089
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
489
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCC#CCC#CCC#CCCCC(=O)OIsomeric SMILES
SMILES: CCCCCCCCC#CCC#CCC#CCCCC(=O)OSynonyms(20)
5,8,11-eicosatriynoic acid13488-22-7icosa-5,8,11-triynoic acidR7EU6LY7HJDTXSID10159018RefChem:101421DTXCID0081509ETI5,8,11-icosatriynoic acid5,8,11-Eicosatriynoicacid12-CIS-HENEICOSENOIC ACIDMFCD00077343Bio1_0006375,8,11-ETIUNII-R7EU6LY7HJ
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5,8,11-Eicosatriynoic acid
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