Structure database (LMSD)

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LM IDLMFA03010213
Common NameTetranor-PGF1α
Systematic Name2,3,4,5-tetranor-9S,11R,15S-trihydroxy-13E-prostenoic acid
SynonymsTetranor-PGF2α
Exact Mass
300.1937 (neutral)    Calculate m/z:
FormulaC16H28O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
PubChem CID52921878
InChIKeyNPXVWXIFJJRRLX-BFBQWKKPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H28O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7
,11-15,17-19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,14+,15-/m0/s1
SMILES[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
311.67Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP2.57Molar
Refractivity
81.31