Structure Database (LMSD)

Common Name
dihomo-TXB2
Systematic Name
9S,11,15S-trihydroxy-2,3-dihomo-thromboxa-5Z,13E-dien-1-oic acid
Synonyms
  • dihomo-thromboxane B2
LM ID
LMFA04000126
Formula
C22H38O6
Exact Mass
Calculate m/z
398.266841
Sum Composition
FA 22:3;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
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)
Metabolism of 7,10,13,16-docosatetraenoic acid to dihomo-thromboxane, 14-hydroxy-7,10,12-nonadecatrienoic acid and hydroxy fatty acids by human platelets.,
Biochim Biophys Acta, 1985
Pubmed ID: 3918572

String Representations

InChiKey (Click to copy)
PXYWKDWTLGSULH-PFMLMISMSA-N
InChi (Click to copy)
InChI=1S/C22H38O6/c1-2-3-8-11-17(23)14-15-20-18(19(24)16-22(27)28-20)12-9-6-4-5-7-10-13-21(25)26/h6,9,14-15,17-20,22-24,27H,2-5,7-8,10-13,16H2,1H3,(H,25,26)/b9-6-,15-14+/t17-,18-,19-,20+,22?/m0/s1
SMILES (Click to copy)
C(CC(=O)O)CCC/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCC

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 421.62
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.70
Molar Refractivity 110.81

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Created at
14th Aug 2025
Updated at
14th Aug 2025