Structure Database (LMSD)

O OH O HO O HO OH
Common Name
Tetranor-PGFM
Systematic Name
9S,11R-dihydroxy-15-oxo-2,3,4,5-tetranor-prostan-1,20-dioic acid
Synonyms
  • Tetranor-Prostaglandin FM
LM ID
LMFA03010139
Formula
C16H26O7
Exact Mass
Calculate m/z
330.167855
Sum Composition
FA 16:3;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)
IGRHJCFWWOQYQE-SYQHCUMBSA-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/h11-14,18-19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-,14+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC(=O)O)[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
On the metabolism of prostaglandin F-2-alpha in female subjects.,
J Biol Chem, 1971
Pubmed ID: 5125749

Other Databases

CHEBI ID
73989
LIPIDBANK ID
XPR1521
PubChem CID
3246853

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 326.61
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 1.78
Molar Refractivity 81.85

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Created at
-
Updated at
2nd Feb 2024