LBF20207TX02

Upper classes: LB LBF

IDs and Links
LipidBank	XPR2101
LipidMaps	LMFA03030002
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20207TX02

THROMBOXANE B2
Structural Information
Systematic Name	7- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid
Common Name	THROMBOXANE B2
Symbol
Formula	C20H34O6
Exact Mass	370.23553882
Average Mass	370.48036
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	95-96°C Hanessian_S et al.
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	ETHYL ACETATE
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	m/e 335, 317 HanessianSet al.
UV Spectra
IR Spectra	FILM: n 3380, 1705cm-1 HanessianSet al.
NMR Spectra	1H-NMR(CDCl3) : d 5.86(m, 1H, 14-CH), 5.72(m, 1H, 13-CH), 5.46(m, 2H, 5,6-CH), 5.35 and 5.23(m, 1H, 11-CH), 4.41(m, 1H, 12-CH), 4.22(m, 1H, 15-CH), 4.11(m, 1H, 9-CH), 2.35(t, 2H, 2-CH2), 0.89(m, 3H, 20-CH3) KotovychGet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20207TX02 See above. Hanessian_S et al. 1977 n.a. LBF20207TX02 See above. Kelly_RW et al. 1976 n.a. LBF20207TX02 See above. Kindahl_H 1977 n.a. LBF20207TX02 See above. Kotovych_G et al. 1980 n.a. LBF20207TX02 See above. Moncada_S et al. 1978 n.a. LBF20207TX02 See above. Westlund_P et al. 1994 n.a. LBF20207TX02 See above. Westlund_P et al. 1986