Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03020053
Common Name15-Epi-lipoxin B5
Systematic Name(5R,6E,8Z,10E,12E,14R,15R,17Z)-5,14,15-trihydroxyicosa-6,8,10,12,17-pentaenoic
acid
Synonyms-
Exact Mass
350.2093 (neutral)    Calculate m/z:
FormulaC20H30O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID53481476
HMDB IDHMDB0012588
InChIKeyVLLDKSJDBRLUOY-XIFXWWOOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(2
4)25/h3-10,12,15,17-19,21-23H,2,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,12-9
+,15-10+/t17-,18+,19+/m0/s1
SMILESCC/C=C\C[C@H]([C@@H](/C=C/C=C/C=C\C=C\[C@@H](CCCC(=O)O)O)O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
382.67Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP3.76Molar
Refractivity
101.65