Structure database (LMSD)

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LM IDLMFA03040008
Common Name13,14-dihydro-15-keto-LXA4
Systematic Name15-oxo-5S,6R-dihydroxy-7E,9E,11Z-eicosatrienoic acid
Synonyms13,14-dihydro-15-keto-Lipoxin A4
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLipoxins [FA0304]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106], Hydroxy fatty acids[FA0105]
PubChem CID52921885
HMDB IDHMDB0062291
SWISSLIPIDS IDSLM:000389597
InChIKeyFPRPRBFSKMFXRV-JWVNNVTNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(2
4)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-1
0+/t18-,19+/m1/s1
SMILESC(/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O)=C/CCC(=O)CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
385.31Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP4.13Molar
Refractivity
100.33