Structure Database (LMSD)

Common Name
15-oxo-13,14-dihydro-2,3,4,5,18,19-hexanor-PGF2alpha
Systematic Name
9S,11R,15S,19R-tetrahydroxy-2,3,4,5,18,19-hexanor-prosta-1,20-dioic acid
Synonyms
  • 5alpha,7alpha-dihydroxy-11-oxo(tetranor, omega-dinor)-prostane-1,14-dioic acid
  • 15-oxo-13,14-dihydro-2,3,4,5,18,19-hexanor-Prostaglandin2alpha
LM ID
LMFA03010302
Formula
C14H22O7
Exact Mass
Calculate m/z
302.136555
Sum Composition
FA 14:3;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]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
A comparison of t-butyldimethylsilyl and trimethylsilyl ether derivatives for the characterization of urinary metabolites of prostaglandin F2alpha by gas chromatography mass spectrometry.,
Biomed Mass Spectrom, 1978
Pubmed ID: 656559

String Representations

InChiKey (Click to copy)
RVANGKFDEYPDAH-KKOKHZNYSA-N
InChi (Click to copy)
InChI=1S/C14H22O7/c15-8(2-5-13(18)19)1-3-9-10(4-6-14(20)21)12(17)7-11(9)16/h9-12,16-17H,1-7H2,(H,18,19)(H,20,21)/t9-,10-,11-,12+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCC(=O)O)[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings
Rotatable Bonds 9
Van der Waals Molecular Volume 292.01
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 1.00
Molar Refractivity 72.62

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Created at
20th Aug 2025
Updated at
20th Aug 2025