Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010031
Common Name13,14-dihydro-15-keto-PGE2
Systematic Name9,15-dioxo-11R-hydroxy-5Z-prostenoic acid
Synonyms13,14-dihydro-15-keto-Prostaglandin E2
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:4;O3
LIPIDBANK IDXPR1712
PubChem CID5280711
KEGG IDC04671
HMDB IDHMDB0002776
CHEBI ID15550
CAYMAN ID10007214
InChIKeyCUJMXIQZWPZMNQ-XYYGWQPLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1
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SMILES
[C@H]1(CCC(=O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume		375.59Topological Polar
Surface Area		91.67Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		5
 logP3.97Molar
Refractivity		96.75