Structure Database (LMSD)
Common Name
Thromboxane B3
Systematic Name
(5E)-7-{4,6-dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoic acid
Synonyms
LM ID
LMFA03030016
Formula
Exact Mass
Calculate m/z
368.21989
Sum Composition
Status
Active
3D model of Thromboxane B3
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)
OYPPJMLKAYYWHH-OHVJZDGFSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3+,7-4+,13-12+
SMILES (Click to copy)
O1C(CC(C(C/C=C/CCCC(=O)O)C1/C=C/C(C/C=C/CC)O)O)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
384.38
Topological Polar Surface Area
109.29
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.69
Molar Refractivity
101.48
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Created at
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Updated at
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