Structure Database (LMSD)

Common Name
20-hydroxy TXB2
Systematic Name
9S,11,15S,20-tetrahydroxy-thromboxa-5Z,13E-dien-1-oic acid
Synonyms
  • 20-hydroxythromboxane B2
  • omega-hydroxy TXB2
LM ID
LMFA03030017
Formula
C20H34O7
Exact Mass
Calculate m/z
386.230456
Sum Composition
FA 20:3;O5
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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
Oryctolagus cuniculus (#9986)
Mammalia (#40674)
Metabolism of prostaglandins, prostaglandin analogs and thromboxane B2 by lung and liver microsomes from pregnant rabbits.,
Biochim Biophys Acta, 1979
Pubmed ID: 518891

String Representations

InChiKey (Click to copy)
OHDKRIUTUFEMSD-WJPXWSOWSA-N
InChi (Click to copy)
InChI=1S/C20H34O7/c21-13-7-3-4-8-15(22)11-12-18-16(17(23)14-20(26)27-18)9-5-1-2-6-10-19(24)25/h1,5,11-12,15-18,20-23,26H,2-4,6-10,13-14H2,(H,24,25)/b5-1-,12-11+/t15-,16-,17-,18+,20?/m0/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCCO

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 395.81
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 3.17
Molar Refractivity 103.48

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Created at
24th Jul 2025
Updated at
24th Jul 2025