Structure Database (LMSD)
Common Name
TXB3
Systematic Name
9S,11,15S-trihydroxy-thromboxa-5Z,13E,17Z-trien-1-oic acid
Synonyms
- Thromboxane B3
LM ID
LMFA03030006
Formula
Exact Mass
Calculate m/z
368.21989
Sum Composition
Status
Active
3D model of TXB3
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-NXJDUNGTSA-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+/t15-,16-,17-,18+,20?/m0/s1
SMILES (Click to copy)
C([C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)C/C=C\CC)/C=C\CCCC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
Other Databases
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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Updated at
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