Structure database (LMSD)

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LM IDLMFA03060070
Common Name12R-HpETE
Systematic Name12R-hydroperoxy-5Z,8Z,10E,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]
PubChem CID9548885
KEGG IDC14812
HMDB IDHMDB0004692
CHEBI ID15626
SWISSLIPIDS IDSLM:000000959
InChIKeyZIOZYRSDNLNNNJ-ZYBDYUKJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)2
2/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14
+/t19-/m1/s1
SMILESC(/C/C=C\CCCC(=O)O)=C/C=C/[C@H](OO)C/C=C\CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
376.52Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.14Molar
Refractivity
99.30