Structure database (LMSD)

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LM IDLMFA03010164
Common Name11-deoxy-PGF2β
Systematic Name9R,15S-dihydroxy-5Z,13E-prostadienoic acid
Synonyms11-deoxy-Prostaglandin F2β
Exact Mass
338.2457 (neutral)    Calculate m/z:
FormulaC20H34O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:3;O2
PubChem CID16061096
CAYMAN ID16510
InChIKeyYRFLKMLJQWGIIZ-LVJWDHJUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)CC[C@H]1O)(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
369.44Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.64Molar
Refractivity
97.78