Structure Database (LMSD)

O HO OH O O HO HO HO
Common Name
2-glyceryl-6-keto-PGF1alpha
Systematic Name
6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid 2-glyceryl ester
Synonyms
  • 2-glyceryl-6-keto-Prostaglandin F1alpha
LM ID
LMFA03010188
Formula
C23H40O8
Exact Mass
Calculate m/z
444.27232
Sum Composition
FA 23:3;O6
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)
WAUOUVMBULAJKP-KSSVOKGRSA-N
InChi (Click to copy)
InChI=1S/C23H40O8/c1-2-3-4-7-16(26)10-11-19-20(22(29)13-21(19)28)12-17(27)8-5-6-9-23(30)31-18(14-24)15-25/h10-11,16,18-22,24-26,28-29H,2-9,12-15H2,1H3/b11-10+/t16-,19+,20+,21+,22-/m0/s1
SMILES (Click to copy)
OCC(OC(=O)CCCCC(=O)C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC)CO

References

Other Databases

CHEBI ID
169801
PubChem CID
10275308

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 1
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 456.50
Topological Polar Surface Area 144.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.97
Molar Refractivity 118.07

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Created at
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Updated at
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