Structure Database (LMSD)

Common Name
Tetranor-PGF1alpha
Systematic Name
2,3,4,5-tetranor-9S,11R,15S-trihydroxy-13E-prostenoic acid
Synonyms
  • Tetranor-PGF2alpha
LM ID
LMFA03010213
Formula
C16H28O5
Exact Mass
Calculate m/z
300.193675
Sum Composition
FA 16:2;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
NPXVWXIFJJRRLX-BFBQWKKPSA-N
InChi (Click to copy)
InChI=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 (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O

References

Other Databases

CHEBI ID
165345
PubChem CID
52921878

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 311.67
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.57
Molar Refractivity 81.31

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Created at
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Updated at
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