Structure database (LMSD)

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LM IDLMFA03060091
Common Name17-HETE
Systematic Name17-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]
AbbrevFA 20:4;O
PubChem CID6442740
HMDB IDHMDB0012598
CHEBI ID63995
SWISSLIPIDS IDSLM:000501493
CAYMAN ID10010636
InChIKeyOPPIPPRXLIDJKN-JPURVOHMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/b5-3-,8-6-,11-9-,14-12-
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SMILES
C(/C/C=C\C/C=C\CC(O)CCC)=C/C/C=C\CCCC(=O)O
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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