Structure database (LMSD)

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LM IDLMFA01020278
Common Name3-hydroxy-3-methyl-2-oxo-pentanoic acid
Systematic Name3-hydroxy-3-methyl-2-oxo-pentanoic acid
Synonyms-
Exact Mass
146.0579 (neutral)    Calculate m/z:
FormulaC6H10O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesOxo fatty acids[FA0106], Hydroxy fatty acids[FA0105]
AbbrevFA 6:1;O2
PubChem CID440269
KEGG IDC04237
CHEBI ID28710
InChIKeyYJVOWRAWFXRESP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
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SMILES
C(O)(C)(CC)C(=O)C(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
142.24Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP0.09Molar
Refractivity
34.07