Structure Database (LMSD)

Common Name
11S-HETE
Systematic Name
11S-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060003
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
Sum Composition
FA 20:4;O
Status
Active
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
GCZRCCHPLVMMJE-YZGNWCGPSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+/t19-/m1/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCCC

Other Databases

CHEBI ID
138332
LIPIDBANK ID
DFA8135
PubChem CID
5283152
Cayman ID
34510

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 367.73
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.47
Molar Refractivity 97.94

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Created at
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Updated at
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