Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03110011
Common Name(+/-) 5-iPF2α-VI
Systematic Name5,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]
SynonymsIsoprostane F2α-I; iPF2α-I; 5-iso-PGF2a VI
Exact Mass
354.2406 (neutral)    Calculate m/z:
FormulaC20H34O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassIsoprostanes [FA0311]
AbbrevFA 20:3;O3
PubChem CID42607309
CHEBI ID140933
CAYMAN ID16300
InChIKeyRZCPXIZGLPAGEV-SUHLLOIRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15?,16-,17+,18-,19+/m1/s1
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SMILES
C(CCCC(O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume		378.23Topological Polar
Surface Area		97.99Hydrogen
Bond Donors		4Hydrogen
Bond Acceptors		5
 logP3.90Molar
Refractivity		99.68