Structure database (LMSD)

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LM IDLMFA02000009
Common Name9-hydroxy-10-oxo-12Z-octadecenoic acid
Systematic Name9-hydroxy-10-oxo-12Z-octadecenoic acid
Synonyms-
Exact Mass
312.2301 (neutral)    Calculate m/z:
FormulaC18H32O4
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106], Hydroxy fatty acids[FA0105]
PubChem CID16061048
InChIKeyKUSHOISAFGTTRU-YFHOEESVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,1
0,17,20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-
SMILESC(CCCCCCCC(O)C(=O)C/C=C\CCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
347.20Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.54Molar
Refractivity
89.38