Structure database (LMSD)

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LM IDLMFA01050250
Common Name9S-hydroxy-2E-decenoic acid
Systematic Name9S-hydroxy-2E-decenoic acid
Synonyms2-Decenoic acid, 9-hydroxy-, [S-(E)]-; (S,E)-(+)-9-Hydroxy-2-decenoic acid
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 ID4562
PubChem CID5312803
InChIKeyDZBLNYYGAKHAOJ-ORZBULNSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+/t9-/m0/s1
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SMILES
C(/C=C/CCCCC[C@@H](O)C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
202.65Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP2.24Molar
Refractivity
52.05