Structure database (LMSD)

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LM IDLMFA03060018
Common Name5S,6S-DiHETE
Systematic Name5S,6S-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms-
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDDFA8103
PubChem CID5283161
CAYMAN ID10007253
InChIKeyUVZBUUTTYHTDRR-WAQVJNLQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)2
4/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15
-13+/t18-,19-/m0/s1
SMILESC(/C=C\CCCCC)/C=C\C=C\C=C\[C@H](O)[C@@H](O)CCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
376.52Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.73Molar
Refractivity
99.84