Structure Database (LMSD)

Common Name
PGF2alpha-1,15-lactone
Systematic Name
9S,11R-dihydroxy-5Z,13E-prostadienoic acid-1,15S-lactone
Synonyms
  • Prostaglandin F2alpha-1,15-lactone
LM ID
LMFA03010072
Formula
C20H32O4
Exact Mass
Calculate m/z
336.23006
Sum Composition
FA 20:4;O2
Status
Active
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
synthetic construct (#32630)
Effects of PGF2alpha and PGF2alpha, 1-15 lactone on the corpus luteum and on early pregnancy in the rhesus monkey,
Prostaglandins, 1977
Pubmed ID: 410075

String Representations

InChiKey (Click to copy)
UTLCNJREJFJDLH-YNNPMVKQSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@@H]12C=C[C@H](CCCCC)OC(=O)CCCC=CC[C@H]1[C@@H](O)C[C@H]2O

Other Databases

CHEBI ID
185952
LIPIDBANK ID
XPR1754
PubChem CID
5283073
Cayman ID
16120

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 357.08
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.38
Molar Refractivity 95.92

Admin

Created at
-
Updated at
3rd Jun 2021