LBF20207PG51

Upper classes: LB LBF

IDs and Links
LipidBank	XPR1801
LipidMaps	LMFA03010087
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20207PG51

PROSTAGLANDIN I2
Structural Information
Systematic Name	5 (Z) - [ 7 (R) -Hydroxy-6 (R) - (3 (S) -hydroxyocten-1 (E) -yl) -1 (S) ,5 (R) -2-oxabicyclo [ 3.3.0 ] oct-3-ylidenpentanoic acid
Common Name	PROSTAGLANDIN I2
Symbol
Formula	C20H32O5
Exact Mass	352.224974134
Average Mass	352.46508
SMILES	C(CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](OC(C2)=CCCCC(O)=O)1)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	11,15-BIS(TRIMETHYLSILYL) ETHER METHYL ESTER ; 495(M+-CH3), 479, 439, 423, 349, 327, 323, 315, 313, 199, 173 Johnson_RA et al.
UV Spectra
IR Spectra	METHYL ESTER ; LIQUID MELT n 3370, 1740, 1695cm-1 Johnson_RA et al.
NMR Spectra	1-H-NMR(D2O, GLYCINE BUFFER, pH10.4) : d 5.60(m, 2H, 13,14-CH), 4.66(m, 1H, 9-CH), 4.39(t, 1H, 5-CH), 4.15(q, 1H, 15-CH), 3.97(q, 1H, 11-CH), 2.20(t, 2H, 2-CH2) KotovychGet al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies ID Compound Name Reference Comment n.a. LBF20207PG51 See above. Johnson_RA et al. 1978 n.a. LBF20207PG51 See above. Kotovych_G et al. 1980 n.a. LBF20207PG51 See above. Moncada_S et al. 1978 n.a. LBF20207PG51 See above. Needleman_P et al. 1986 n.a. LBF20207PG51 See above. Negishi_M et al. 1995 n.a. LBF20207PG51 See above. Negishi_M et al. 1995 n.a. LBF20207PG51 See above. Pace-Asciak_CR et al. 1983 n.a. LBF20207PG51 See above. Tanabe_T et al. 1995 n.a. LBF20207PG51 See above. Yokoyama_C et al. 1996