Structure database (LMSD)

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LM IDLMFA03010169
Common Name2,3-dinor-PGE1
Systematic Name9-oxo-11R,15S-dihydroxy-2,3-dinor-13E-prostenoic acid
Synonyms2,3-dinor-Prostaglandin E1
Exact Mass
326.2093 (neutral)    Calculate m/z:
FormulaC18H30O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 18:3;O3
PubChem CID16061101
CAYMAN ID13120
InChIKeyGTUGBRJEKVKOKQ-LRSAKWJDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,17+/m0/s1
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SMILES
C(CCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)CC1=O)(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
343.63Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP3.27Molar
Refractivity
89.03