Structure database (LMSD)

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LM IDLMFA03060092
Common Name18-HETE
Systematic Name18-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms-
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]
PubChem CID6442778
HMDB IDHMDB0062302
SWISSLIPIDS IDSLM:000389416
CAYMAN ID10010638
InChIKeyPPCHNRUZQWLEMF-XBOCNYGYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h
4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-
SMILESC(/C/C=C\C/C=C\CCC(O)CC)=C/C/C=C\CCCC(=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