Structure database (LMSD)

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LM IDLMFA03060105
Common Name16-HETE
Systematic Name(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms(5Z,8Z,11Z,14Z)-16-hydroxyeicosa-5,8,11,14-tetraenoic acid;(all-cis)-16-
hydroxy-5,8,11,14-eicosatetraenoic acid;(all-cis)-16-hydroxy-5,8,11,14-
icosatetraenoic acid;16-hydroxy-5Z,8Z,11Z,14Z-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]
AbbrevFA 20:4;O
PubChem CID6442739
CHEBI ID63994
SWISSLIPIDS IDSLM:000501494
CAYMAN ID10010635
InChIKeyJEKNPVYFNMZRJG-UFINWASNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-
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SMILES
C(CC(O)=O)C/C=C\C/C=C\C/C=C\C/C=C\C(O)CCCC
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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