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
Main
Classification
Category
Main Class
Sub Class
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
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
Prostaglandins, 1994
Pubmed ID:
7938613
Other Databases
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
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