Structure database (LMSD)

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LM IDLMFA01050160
Common Name10-hydroxy-8E-decenoic acid
Systematic Name10-hydroxy-8E-decenoic acid
Synonyms-
Exact Mass
186.1256 (neutral)    Calculate m/z:
FormulaC10H18O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 10:1;O
LIPIDAT ID4568
PubChem CID5312741
HMDB IDHMDB0039533
CHEBI ID138752
InChIKeyRCXJFGCVOBRFEH-FNORWQNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,1-4,6,8-9H2,(H,12,13)/b7-5+
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SMILES
C(CCCCCC/C=C/CO)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
202.65Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP2.24Molar
Refractivity
52.05