Structure database (LMSD)

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LM IDLMFA03060008
Common Name12R-HETE
Systematic Name12R-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
Synonyms-
Exact Mass
320.2351 (neutral)    Calculate m/z:
FormulaC20H32O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:4;O
LIPIDBANK IDDFA8136
PubChem CID5283156
KEGG IDC14822
CHEBI ID34144
SWISSLIPIDS IDSLM:000389804
CAYMAN ID34560
InChIKeyZNHVWPKMFKADKW-ZYBDYUKJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
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SMILES
C(/CCCC(=O)O)=C/C/C=C\C=C\[C@H](O)C/C=C\CCCCC
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Ion mobilityView Ion mobility data
MS StandardView lipid standard
StatusActive
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