Structure Database (LMSD)

Common Name
19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Systematic Name
9S,11R,15S,19-tetrahydroxy-2,3-dinor-6-oxo-13E-prostenoic acid
Synonyms
  • 19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
  • 9alpha,11alpha,15S,19-tetrahydroxy-2,3-dinor-6-oxoprost-13E-en-1-oic acid
LM ID
LMFA03010281
Formula
C18H30O7
Exact Mass
Calculate m/z
358.199156
Sum Composition
FA 18:3;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Identification of the major urinary metabolites of 6-ketoprostaglandin F1alpha (6K-PGF1alpha) in the rat.,
Biochem Biophys Res Commun, 1977
Pubmed ID: 907663

String Representations

InChiKey (Click to copy)
CCDLUYBTWPYEFY-VKOLDSHFSA-N
InChi (Click to copy)
InChI=1S/C18H30O7/c1-11(19)3-2-4-12(20)5-7-14-15(17(23)10-16(14)22)9-13(21)6-8-18(24)25/h5,7,11-12,14-17,19-20,22-23H,2-4,6,8-10H2,1H3,(H,24,25)/b7-5+/t11?,12-,14+,15+,16+,17-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCC(O)C)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O

Other Databases

CHEBI ID
73951
PubChem CID
71581025

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 361.21
Topological Polar Surface Area 135.29
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 1.78
Molar Refractivity 92.83

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Created at
5th Aug 2025
Updated at
5th Aug 2025