Structure database (LMSD)

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LM IDLMFA03060106
Common Name19-HETE
Systematic Name(5Z,8Z,11Z,14Z)-19-hydroxy-5,8,11,14-icosatetraenoic acid
Synonyms(5Z,8Z,11Z,14Z)-19-hydroxy-5,8,11,14-eicosatetraenoic acid;(all-cis)-19-
hydroxy-5,8,11,14-eicosatetraenoic acid;(all-cis)-19-hydroxy-5,8,11,14-
icosatetraenoic acid;19-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid;19-hydroxy-
5Z,8Z,11Z,14Z-icosatetraenoic acid;19-hydroxyarachidonic acid
Exact Mass
320.2351 (neutral)    Calculate m/z:
FormulaC20H32O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:4;O
PubChem CID20839325
CHEBI ID63998
SWISSLIPIDS IDSLM:000389383
InChIKeyXFUXZHQUWPFWPR-TWVHMNNTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-
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SMILES
C(C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)CC(O)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
367.73Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.47Molar
Refractivity
97.94