Structure Database (LMSD)

OH OH O
Common Name
15S-HETE
Systematic Name
15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060001
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
Sum Composition
FA 20:4;O
Status
Active
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Main

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)
JSFATNQSLKRBCI-VAEKSGALSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCCC

References

Other Databases

KEGG ID
C04742
HMDB ID
HMDB0003876
CHEBI ID
15558
LIPIDBANK ID
DFA8140
PubChem CID
5280724
SwissLipids ID
SLM:000500469
Cayman ID
34720
GuidePharm ID
3401

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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