Structure Database (LMSD)

O HO OH O OH HO
Common Name
D17, 6-keto PGF1a
Systematic Name
6-oxo-9S,11R,15S-trihydroxy-13E,17Z-prostadienoic acid
Synonyms
  • D17, 6-keto Prostaglandin F1a
LM ID
LMFA03010149
Formula
C20H32O6
Exact Mass
Calculate m/z
368.21989
Sum Composition
FA 20:4;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)
HFKNJQYMAGMXTR-CAPHXMBKSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/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/h3-4,10-11,14,16-19,21,23-24H,2,5-9,12-13H2,1H3,(H,25,26)/b4-3-,11-10+/t14-,16+,17+,18+,19-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)C/C=C\CC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O

References

Other Databases

CHEBI ID
157745
LIPIDBANK ID
XPR1716
PubChem CID
5283117
Cayman ID
15230

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 384.38
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.08
Molar Refractivity 100.07

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Created at
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Updated at
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