LBF18207TX01

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

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Upper classes: LB LBF

IDs and Links
LipidBank	XPR2111
LipidMaps	LMFA03030003
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18207TX01

2,3-dinor Thromboxane B2
Structural Information
Systematic Name	5- [Tetrahydro-4S,6-dihydroxy-2R- (3S-hydroxy-trans-1-octenyl) -2H-pyran-3S-yl] -cis-3-pentenoic acid
Common Name	2,3-dinor Thromboxane B2 5- [Tetrahydro-4 (S) ,6-dihydroxy-2(R)- (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl] -3 (Z) -pentenoic acid
Symbol	2,3-DINOR-TXB2
Formula	C18H30O6
Exact Mass	342.204238692
Average Mass	342.42719999999997
SMILES	[C@@H]([C@@H](CC=CCC(O)=O)1)(C=C[C@H](O)CCCCC)OC(O)C[C@@H]1O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	ETHYL ACETATE, DIETHYL ETHER, DICHLOROMETHANE Nelson_NA et al.
Source	When thromboxane B2 is infused, 2,3-dinor-thromboxane B2 is found in urine of monkey Kindahl_H and man Roberts_LJ et al. as a major metabolite.
Chemical Synthesis
Metabolism	2,3-Dinor-thromboxane B2 is a beta -oxidation product of thromboxane B2.
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	METHYL ESTER TRIS-TMS ETHER ; m/e 557, 482, 467, 411, 338, 301, 295, 267, 228, 225, 217 KindahlH
UV Spectra
IR Spectra
NMR Spectra	METHYL ESTER ; 1H-NMR(CDCl3) : δ 5.77-5.0(m, 6H), 4.50-3.96(m, 5H), 3.71(s, 3H, OCH3), 3.20-3.00(m, 2H) Nelson_NA et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18207TX01 See above. Kindahl_H 1977 n.a. LBF18207TX01 See above. Nelson_NA et al. 1978 n.a. LBF18207TX01 See above. Roberts_LJ et al. 1977