Structure database (LMSD)

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LM IDLMFA01050261
Common Name6R-hydroxy-heptanoic acid
Systematic Name6R-hydroxy-heptanoic acid
SynonymsHeptanoic acid, 6-hydroxy-, (R)-
Exact Mass
146.0943 (neutral)    Calculate m/z:
FormulaC7H14O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
AbbrevFA 7:0;O
LIPIDAT ID4689
PubChem CID5312814
CHEBI ID78775
InChIKeyUBIZMIFHVVCVEJ-ZCFIWIBFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H14O3/c1-6(8)4-2-3-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
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SMILES
C(CCCC[C@H](O)C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
153.39Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.30Molar
Refractivity
38.30