LBF20303TX02

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

Journals (雑誌一覧)

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Upper classes: LB LBF

IDs and Links
LipidBank	XPR2102
LipidMaps	LMFA03030006
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20303TX02

Thromboxane B3
Structural Information
Systematic Name	7- [Tetrahydro- (4S,6) -dihydroxy-2R- (3S-hydroxy- (trans-1,cis-5) -octadienyl) -2H-pyran-3S-yl] -cis-5-heptenoic acid
Common Name	Thromboxane B3 7- [Tetrahydro- (4S,6) -dihydroxy-2R- (3S-hydroxy- (1E,5Z) -octadienyl) -2H-pyran-3S-yl] -5(Z) -heptenoic acid
Symbol	TXB3
Formula	C20H32O6
Exact Mass	368.219888756
Average Mass	368.46448
SMILES	C(=CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1O)O)CC=CCCCC(O)=O)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	DIETHYL ETHER HambergM, ETHYL ACETATE, CHLOROFORM NakamuraNet al.
Source
Chemical Synthesis	Nakamura_N et al.
Metabolism	Prostaglandin H3 is produced from 5,8,11,14,17-eicosapentaenoic acid by the catalysis of fatty acid cyclooxygenase, and then transformed to unstable thromboxane A3 Needleman_P et al., which is converted non-enzymatically to stable thromboxane B3.
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	FAB : m/e 351(M+1-H2O), 333, 315, 307 NakamuraNet al.
UV Spectra
IR Spectra	FILM : ν 3392, 3010, 2932, 1713, 1407, 1363, 1231, 1154, 1104, 1024, 973, 895 cm-1 NakamuraNet al.
NMR Spectra	1H-NMR(CDCl3, TMS) : δ 5.85(dd, J=17.5, 6.3Hz,1H, 14-CH), 5.71(dd, J=17.5, 7.5Hz, 1H, 13-CH), 5.55(td, J=20.0, 12.5Hz, 1H, 18-CH), 5.48-5.31(m, 4H, 5,6,11,17-CH), 4.41(dd, J=12.5, 7.5Hz, 1H, 12-CH), 4.23(dt, J=12.5, 6.3Hz, 1H, 15-CH), 4.08(m, 1H, 9-CH), 2.40-2.24(m, 4H, 4,16-CH), 2.18-1.96(m, 7H, 2,7,10,19-CH), 1.81(m, 2H, 3-CH), 1.74-1.63(m, 2H, 3-CH), 1.45(tdd, J=8.8, 5.0, 5.0Hz, 1H, 8-CH), 0.96(t, J=7.5Hz, 3H, 20-CH) NakamuraNet al. 13C-NMR(CDCl3) : 177.25, 136.52, 135.22, 130.75, 129.22, 127.49, 123.66, 123.59, 92.56, 71.58, 69.20, 64.95, 44.99, 36.01, 34.72, 32.89, 26.31, 24.80, 24.58, 24.58, 20.76, 14.21 NakamuraNet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20303TX02 See above. Hamberg_M 1980 n.a. LBF20303TX02 See above. Nakamura_N et al. 1993 n.a. LBF20303TX02 See above. Needleman_P et al. 1979