Structure database (LMSD)

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LM IDLMFA03010032
Common NameTetranor-PGEM
Systematic Name11R-hydroxy-9,15-dioxo-2,3,4,5-tetranor-prostan-1,20-dioic acid
SynonymsTetranor-Prostaglandin EM
Exact Mass
328.1522 (neutral)    Calculate m/z:
FormulaC16H24O7
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
PubChem CID161468
CAYMAN ID14840
InChIKeyZJAZCYLYLVCSNH-JHJVBQTASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)1
8/h11-13,18H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-/m1/s1
SMILES[C@H]1(CCC(=O)CCCCC(=O)O)[C@H](O)CC(=O)[C@@H]1CCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
323.97Topological Polar
Surface Area
128.97Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP1.70Molar
Refractivity
80.34