Structure Database (LMSD)
Common Name
LTB5
Systematic Name
5S,12S-dihydroxy-6Z,8E,14Z,17Z-eicosapentanenoic acid
Synonyms
- Leukotriene B5
LM ID
LMFA03020010
Formula
Exact Mass
Calculate m/z
334.21441
Sum Composition
Status
Active
3D model of LTB5
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
References
Other Databases
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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