Structure Database (LMSD)

Common Name
alpha-dinor-omega-tetranor-15-deoxy-13,14-dihydro-PGF2alpha
Systematic Name
2,3-dinor-17,18,19,20-tetranor-9S,11R,dihydroxy-5Zprosten-1-20-dioic acid
Synonyms
  • alpha-dinor-omega-tetranor-15-deoxy-13,14-dihydro-Prostaglandin F2alpha
LM ID
LMFA03010295
Formula
C14H22O6
Exact Mass
Calculate m/z
286.14164
Sum Composition
FA 14:3;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Structures of C14 Metabolites of Prostaglandin F2alpha

String Representations

InChiKey (Click to copy)
JDTCOTLUXWXTBT-BLNJHPLOSA-N
InChi (Click to copy)
InChI=1S/C14H22O6/c15-11-8-12(16)10(5-3-7-14(19)20)9(11)4-1-2-6-13(17)18/h1-2,9-12,15-16H,3-8H2,(H,17,18)(H,19,20)/b2-1-/t9-,10-,11+,12-/m1/s1
SMILES (Click to copy)
[C@H]1(CCCC(=O)O)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CC(O)=O

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings
Rotatable Bonds 8
Van der Waals Molecular Volume 283.22
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 1.59
Molar Refractivity 72.13

Admin

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