Structure Database (LMSD)

Common Name
LTB5
Systematic Name
5S,12S-dihydroxy-6Z,8E,14Z,17Z-eicosapentanenoic acid
Synonyms
  • Leukotriene B5
LM ID
LMFA03020010
Formula
C20H30O4
Exact Mass
Calculate m/z
334.21441
Sum Composition
FA 20:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Leukotrienes [FA0302]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
BISQPGCQOHLHQK-HDNPQISLSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
SMILES (Click to copy)
C(/C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O)=C/C/C=C\CC

Other Databases

HMDB ID
HMDB0005073
CHEBI ID
88493
LIPIDBANK ID
XPR4102
PubChem CID
5283125
Cayman ID
21110

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 373.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.51
Molar Refractivity 99.75

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Created at
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Updated at
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