Structure database (LMSD)

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LM IDLMFA03020004
Common Name12-keto-10,11,14,15-tetrahydro-LTB4
Systematic Name5S-hydroxy-12-keto-6Z,8E-eicosadienoic acid
Synonyms12-keto-10,11,14,15-tetrahydro-Leukotriene B4
Exact Mass
338.2457 (neutral)    Calculate m/z:
FormulaC20H34O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
LIPIDBANK IDXPR3112
PubChem Compound ID (CID)5283122
METABOLOMICS ID-
KEGG IDC02165
HMDB IDHMDB02995
YMDB ID-
CHEBI ID15647
InChIKeyRRTYEHFGQWNQKK-KIQAWMAPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)2
4/h7-8,11,15,19,22H,2-6,9-10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,15-11-/t19-/m1/s1
SMILESCCCCCCCCC(=O)CC/C=C/C=C\[C@@H](O)CCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
379.16Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP5.10Molar
Refractivity
98.52    
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