Structure Database (LMSD)

Common Name
2,3-Dinor-TXB2
Systematic Name
9S,11,15S-trihydroxy-2,3-dinor-thromboxa-5Z,13E-dien-1-oic acid
Synonyms
  • 2,3-Dinor-Thromboxane B2
LM ID
LMFA03030003
Status
Active
Exact Mass
Calculate m/z
342.20424
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RJHNVFKNIJQTQF-LMIBIYGPSA-N
InChi (Click to copy)
InChI=1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+,18?/m0/s1
SMILES (Click to copy)
C1[C@H](O)[C@H](C/C=C\CC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)OC1O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
XPR2111
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 352.42
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.13
Molar Refractivity 92.34

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Created at
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Updated at
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