Structure Database (LMSD)

HO O OH OH HO
Common Name
13,14-dihydro-PGF2alpha
Systematic Name
9S,11R,15S-trihydroxy-5Z-prostenoic acid
Synonyms
  • 13,14-dihydro-Prostaglandin F2alpha
LM ID
LMFA03010079
Formula
C20H36O5
Exact Mass
Calculate m/z
356.256275
Sum Composition
FA 20:2;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View lipid standard

Main

Classification

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

String Representations

InChiKey (Click to copy)
LLQBSJQTCKVWTD-NFUXFLSFSA-N
InChi (Click to copy)
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,15-19,21-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t15-,16+,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@H]1(CC[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O

References

Other Databases

CHEBI ID
88346
LIPIDBANK ID
XPR1761
PubChem CID
5283080
Cayman ID
16660

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 380.87
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.13
Molar Refractivity 99.77

Admin

Created at
-
Updated at
-