Structure Database (LMSD)

O HO OH O OH HO
Common Name
6-keto-PGF1alpha
Systematic Name
6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid
Synonyms
  • 6-keto-Prostaglandin F1alpha
  • 6-oxo-prostaglandin F1alpha
  • 6-Oxo-PGF1alpha
LM ID
LMFA03010001
Formula
C20H34O6
Exact Mass
Calculate m/z
370.23554
Sum Composition
FA 20:3;O4
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
KFGOFTHODYBSGM-ZUNNJUQCSA-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/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/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)CCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Arachidonic acid metabolism.,
Annu Rev Biochem, 1986
Pubmed ID: 3017195

Other Databases

KEGG ID
C05961
HMDB ID
HMDB0002886
CHEBI ID
28158
LIPIDBANK ID
XPR1811
PubChem CID
5280888
Cayman ID
15210

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 387.02
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.31
Molar Refractivity 100.16

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Updated at
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