Structure database (LMSD)

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LM IDLMFA03010171
Common Name15d-PGA1
Systematic Name9-oxo-10,12Z,14E-prostatrienoic acid
Synonyms15d-Prostaglandin A1
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:5;O
PubChem CID16061103
CAYMAN ID10065
InChIKeyLDOCIRJMPUHXRM-YUJGFSRTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1
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SMILES
C(CCCCCC[C@@H]1/C(=C\C=C\CCCCC)/C=CC1=O)(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
355.37Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.23Molar
Refractivity
94.34