Structure Database (LMSD)

O O HO OH HO OH
Common Name
2,3-dinor, 6-keto-PGF1alpha
Systematic Name
6-oxo-9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid
Synonyms
  • 2,3-dinor, 6-keto-Prostaglandin F1alpha
LM ID
LMFA03010089
Formula
C18H30O6
Exact Mass
Calculate m/z
342.20424
Sum Composition
FA 18:3;O4
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)
DNKGWNLXBRCUCF-NLOSNHEGSA-N
InChi (Click to copy)
InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O

References

Other Databases

HMDB ID
HMDB0062618
CHEBI ID
73944
LIPIDBANK ID
XPR1821
PubChem CID
5283084

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 352.42
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 90.93

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Created at
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Updated at
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