Structure database (LMSD)

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LM IDLMFA03100037
Common Nameox-LGD2
Systematic Name9,10-seco-9-carboxy-11,11,15S-trihydroxy-5Z,8(12),13E-prostatrienoic acid 9,11-
lactone
Synonyms-
Exact Mass
366.2042 (neutral)    Calculate m/z:
FormulaC20H30O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLevuglandins [FA0310]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID56935879
InChIKeyRAQOIYLDXSAKSS-DPLATEDBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O6/c1-3-4-7-10-15(21)13-14-17-16(19(24)26-20(17,2)25)11-8-5-6-9-12-18(22)23/h5,8,13-15,21,25H,3-4,6-7,9-12H2,1-2H3,(H,22,23)/b8-5-,14-13+/t15-,20?/m0/s1
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SMILES
C1(C(C)(O)OC(=O)C=1C/C=C\CCCC(=O)O)/C=C/[C@@H](O)CCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
381.74Topological Polar
Surface Area
106.13Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP3.82Molar
Refractivity
99.30