Structure database (LMSD)

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LM IDLMFA03060064
Common Name12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
Systematic Name12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
Synonyms5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-
Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-
eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-
eicosatetraenoic acid; 12S-
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]
LIPIDAT ID4649
PubChem CID5312984
HMDB IDHMDB06111
InChIKeyZNHVWPKMFKADKW-JKNRQTOGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h
7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-/t
19-/m0/s1
SMILESC(CCC/C=C/C/C=C\C=C/[C@@H](O)C/C=C\CCCCC)(=O)O
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