Structure Database (LMSD)

OH HO O OH
Common Name
11-deoxy-PGF2beta
Systematic Name
9R,15S-dihydroxy-5Z,13E-prostadienoic acid
Synonyms
  • 11-deoxy-Prostaglandin F2beta
LM ID
LMFA03010164
Formula
C20H34O4
Exact Mass
Calculate m/z
338.24571
Sum Composition
FA 20:3;O2
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)
YRFLKMLJQWGIIZ-LVJWDHJUSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)CC[C@H]1O)(=O)O

References

Other Databases

CHEBI ID
167820
PubChem CID
16061096
Cayman ID
16510

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 369.44
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.64
Molar Refractivity 97.78

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Created at
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Updated at
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