Structure Database (LMSD)

OH HO O O OH
Common Name
2,3-dinor-PGE1
Systematic Name
9-oxo-11R,15S-dihydroxy-2,3-dinor-13E-prostenoic acid
Synonyms
  • 2,3-dinor-Prostaglandin E1
LM ID
LMFA03010169
Formula
C18H30O5
Exact Mass
Calculate m/z
326.209325
Sum Composition
FA 18:3;O3
Status
Active
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
GTUGBRJEKVKOKQ-LRSAKWJDSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C(CCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)CC1=O)(=O)O

References

Other Databases

CHEBI ID
165324
PubChem CID
16061101
Cayman ID
13120

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 343.63
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.27
Molar Refractivity 89.03

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Created at
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Updated at
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