Structure database (LMSD)

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LM IDLMFA03060059
Common Name9R-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid
Systematic Name9R-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid
Synonyms5,7,11,14-Eicosatetraenoic acid, 9-hydroxy-, [R-(E,Z,Z,Z)]-; [9R-(5Z,7E,11Z,
14Z)]-9-Hydroxy-5,7,11,14-eicosatetraenoic 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]
LIPIDAT ID4640
PubChem CID5312979
HMDB IDHMDB10222
InChIKeyKATOYYZUTNAWSA-JNIQGBGXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h
6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17
-14-/t19-/m1/s1
SMILESC(CCC/C=C/C=C\[C@H](O)C/C=C\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