Structure Database (LMSD)

Common Name
11beta-13,14-dihydro-15-keto PGF2alpha
Systematic Name
9S,11R-dihydroxy-15-oxo-5Z-prostenoic acid
Synonyms
  • 11beta-dhk-PGF2alpha
  • 11beta-13,14-dihydro-15-keto Prostaglandin F2alpha
  • 11beta-dhk-PGF2a
LM ID
LMFA03010203
Formula
C20H34O5
Exact Mass
Calculate m/z
354.240625
Sum Composition
FA 20:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
VKTIONYPMSCHQI-KGILNJEGSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/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/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O

Other Databases

CHEBI ID
140931
PubChem CID
25755792
Cayman ID
16540

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 378.23
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.05
Molar Refractivity 98.26

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Created at
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Updated at
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