Structure Database (LMSD)

O HO O O OH HO
Common Name
13,14-dihydro-6,15-diketo-PGF1alpha
Systematic Name
6,15-dioxo-9S,11R-dihydroxyprostanoic acid
Synonyms
  • 13,14-dihydro-6,15-diketo-Prostaglandin F1alpha
LM ID
LMFA03010013
Formula
C20H34O6
Exact Mass
Calculate m/z
370.23554
Sum Composition
FA 20:3;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)
KBHLXKOKUVJZIS-MKXGPGLRSA-N
InChi (Click to copy)
InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h16-19,23-24H,2-13H2,1H3,(H,25,26)/t16-,17-,18-,19+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O

References

Other Databases

HMDB ID
HMDB01979
LIPIDBANK ID
XPR1715
PubChem CID
174013
Cayman ID
15270

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 384.38
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.23
Molar Refractivity 98.65

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Created at
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Updated at
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