Structure database (LMSD)

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LM IDLMFA03010211
Common NameTetranor-PGE1
Systematic Name2,3,4,5-tetranor-9-oxo-11R,15S-dihydroxy-13E-prostenoic acid
SynonymsTetranor-PGE2
Exact Mass
298.1780 (neutral)    Calculate m/z:
FormulaC16H26O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
PubChem CID6449794
InChIKeyFPTFFTMXBKQFKC-JZKKULJYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7
,11-14,17-18H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,14+/m0/s1
SMILESC(C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)CC1=O)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
309.03Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP2.49Molar
Refractivity
79.79