Structure Database (LMSD)

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
Status
Active
Exact Mass
Calculate m/z
370.23554
Formula
Abbrev





Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Reference
Arachidonic acid metabolism.
Annu Rev Biochem, 1986
DOI: 10.1146/annurev.bi.55.070186.000441
PMID: 3017195

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
HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
Cayman ID

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

Admin

Created at
-
Updated at
-