Structure Database (LMSD)

H O HO OH O O HO OH HO
Common Name
1(3)-glyceryl-6-keto-PGF1alpha
Systematic Name
6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid 1(3)-glyceryl ester
Synonyms
  • 6-keto-PGF1a-G
  • 1(3)-glyceryl-6-keto-Prostaglandin F1alpha
LM ID
LMFA03010187
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)
MPSATYYKSWVJNQ-NSZXNXEKSA-N
InChi (Click to copy)
InChI=1S/C23H40O8/c1-2-3-4-7-16(25)10-11-19-20(22(29)13-21(19)28)12-17(26)8-5-6-9-23(30)31-15-18(27)14-24/h10-11,16,18-22,24-25,27-29H,2-9,12-15H2,1H3/b11-10+/t16-,18?,19+,20+,21+,22-/m0/s1
SMILES (Click to copy)
OCC([H])(O)COC(=O)CCCCC(=O)C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC

References

Other Databases

CHEBI ID
169397
PubChem CID
24778490

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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