Structure Database (LMSD)

Common Name
20-carboxy-2,3,4,5-tetranor-PGF2alpha
Systematic Name
9S,11R,15S-trihydroxy-13E-2,3,4,5-tetranor-prosten-1,20-dioic acid
Synonyms
  • 20-carboxy-2,3,4,5-tetranor-Prostaglandin F2alpha
  • 5alpha,7alpha,11alpha-trihydroxytetranorprost-9-en-1,16-dioic acid
LM ID
LMFA03010299
Formula
C16H26O7
Exact Mass
Calculate m/z
330.167856
Sum Composition
FA 16:3;O5
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]
Dicarboxylic acids [FA0117]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryctolagus cuniculus (#9986)
Mammalia (#40674)
Metabolism of prostaglandin F 2 in the rabbit.,
Eur J Biochem, 1972
Pubmed ID: 5050256

String Representations

InChiKey (Click to copy)
SJTHEHUNATXNEZ-MQYRNVJCSA-N
InChi (Click to copy)
InChI=1S/C16H26O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h5-6,10-14,17-19H,1-4,7-9H2,(H,20,21)(H,22,23)/b6-5+/t10-,11+,12+,13+,14-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC(=O)O)[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 326.61
Topological Polar Surface Area 135.29
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 1.63
Molar Refractivity 83.27

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Created at
15th Aug 2025
Updated at
15th Aug 2025