Structure Database (LMSD)

Common Name
15-methyl-15R-PGF2alpha methyl ester
Systematic Name
methyl 9S,11R,15S-trihydroxy-15-methyl-5Z,13E-prostadienoate
Synonyms
  • 15-methyl-15R-Prostaglandin F2alpha methyl ester
LM ID
LMFA03010122
Formula
C22H38O5
Exact Mass
Calculate m/z
382.271925
Sum Composition
FA 22:3;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)
QQCOAAFKJZXJFP-XAYIDPIISA-N
InChi (Click to copy)
InChI=1S/C22H38O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h6,8,13,15,17-20,23-24,26H,4-5,7,9-12,14,16H2,1-3H3/b8-6-,15-13+/t17-,18-,19+,20-,22+/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@](C)(O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC

Other Databases

CHEBI ID
191260
LIPIDBANK ID
XPR1793
PubChem CID
5283105
Cayman ID
16744

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 412.83
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.38
Molar Refractivity 108.68

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Created at
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Updated at
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