Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
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GIF image of LMFA03060001 structure
LM IDLMFA03060001
Common Name15S-HETE
Systematic Name15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
Synonyms-
Exact Mass
320.2351 (neutral)    Calculate m/z:
FormulaC20H32O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative classificationUnsaturated fatty acid; Hydroxy fatty acid;
LIPIDBANK IDDFA8140
PubChem Substance ID (SID)4266108
METABOLOMICS ID-
KEGG IDC04742
HMDB IDHMDB03876
YMDB ID-
CHEBI ID15558
InChIKeyJSFATNQSLKRBCI-VAEKSGALSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-
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+/
t19-/m0/s1
StatusActive
MS StandardView lipid standard
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    
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