Structure Database (LMSD)

O OH O OH HO O O
Common Name
Tetranor-PGEM
Systematic Name
11R-hydroxy-9,15-dioxo-2,3,4,5-tetranor-prostan-1,20-dioic acid
Synonyms
  • Tetranor-Prostaglandin EM
LM ID
LMFA03010032
Formula
C16H24O7
Exact Mass
Calculate m/z
328.152205
Sum Composition
FA 16:4;O5
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
ZJAZCYLYLVCSNH-JHJVBQTASA-N
InChi (Click to copy)
InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-13,18H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC(=O)O)[C@H](O)CC(=O)[C@@H]1CCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Liquid chromatography-tandem mass spectrometric quantification of the dehydration product of tetranor PGE-M, the major urinary metabolite of prostaglandin E(2) in human urine.,
J Chromatogr B Analyt Technol Biomed Life Sci, 2008
Pubmed ID: 18632314

Other Databases

CHEBI ID
73965
PubChem CID
161468
Cayman ID
14840

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 323.97
Topological Polar Surface Area 128.97
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 1.70
Molar Refractivity 80.34

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Updated at
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