Structure Database (LMSD)

Common Name
2,3-Dinor-TXB1
Systematic Name
9S,11,15S-trihydroxy-2,3-dinor-thrombox-13E-en-1-oic acid
Synonyms
  • 2,3-Dinor-Thromboxane B1
LM ID
LMFA03030012
Status
Active
Exact Mass
Calculate m/z
342.240625
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)
URVGHNOQCRQJTD-MELXFHLESA-N
InChi (Click to copy)
InChI=1S/C19H34O5/c1-2-3-4-7-15(20)11-10-14-12-16(21)13-18(22)17(14)8-5-6-9-19(23)24/h10-11,14-18,20-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16?,17+,18-/m0/s1
SMILES (Click to copy)
C1[C@H](O)[C@H](CCCCC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)CC1O

References

Reference
Urinary excretion of 2,3-dinor-thromboxane B1,
a major metabolite of thromboxane B2 in the rat.
CHIABRANDO C., CORADA M., BACHI A., FANELLI R.
Prostaglandins
1994, vol. 47, no6, pp. 409-422

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Urinary excretion of 2,3-dinor-thromboxane B1, a major metabolite of thromboxane B2 in the rat.,
Prostaglandins, 1994
Pubmed ID: 7938613

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 363.57
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.74
Molar Refractivity 95.16

Admin

Created at
-
Updated at
-