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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010029
Common Name20-hydroxy-PGF2α
Systematic Name9S,11S,15S,20-tetrahydroxy-5Z,13E-prostadienoic acid
Synonyms20-hydroxy-Prostaglandin F2α
Exact Mass
370.2355 (neutral)    Calculate m/z:
FormulaC20H34O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:3;O4
LIPIDBANK IDXPR1723
PubChem CID5283040
HMDB IDHMDB04049
CAYMAN ID16950
InChIKeyXQXUYZDBZCLAQO-UNKHNRNISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-,19+/m0/s1
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SMILES
[C@H]1(/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
Click to highlight SMILES
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
387.02Topological Polar
Surface Area
118.22Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP3.16Molar
Refractivity
101.58