Structure database (LMSD)

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LM IDLMFA03050026
Common Name15-HETrE
Systematic Name(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid
Synonyms(8Z,11Z,13E)-15-hydroxyeicosa-8,11,13-trienoic acid;15-hydroxy-8Z,11Z,13E-
eicosatrienoic acid;15-hydroxy-8Z,11Z,13E-icosatrienoic acid;15-hydroxyeicosa-
8Z,11Z,13E-trienoic acid;15-hydroxyicosa-8Z,11Z,13E-trienoic acid
Exact Mass
322.2508 (neutral)    Calculate m/z:
FormulaC20H34O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:3;O
PubChem CID44322431
CHEBI ID72644
InChIKeyIUKXMNDGTWTNTP-RHDCIPCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+
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SMILES
OC(/C=C/C=C\C/C=C\CCCCCCC(=O)O)CCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
370.37Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.70Molar
Refractivity
98.04