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
C20H32O6
Exact Mass
Calculate m/z
368.21989
Sum Composition
FA 20:4;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Thromboxanes [FA0303]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

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
Pubmed ID: 20671299

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

Other Databases

CHEBI ID
84444
LIPIDBANK ID
XPR2102
PubChem CID
5283140
Cayman ID
19990

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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