Structure database (LMSD)

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LM IDLMFA01050494
Common Name3-Hydroxyvalproic acid
Systematic Name3-hydroxy-2-propylpentanoic acid
Synonyms-
Exact Mass
160.1099 (neutral)    Calculate m/z:
FormulaC8H16O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevFA 8:0;O
PubChem CID134459
KEGG IDC16651
HMDB IDHMDB0013899
CHEBI ID80637
InChIKeyLLPFTSMZBSRZDV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O3/c1-3-5-6(8(10)11)7(9)4-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)
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SMILES
CCC(O)C(C(=O)O)CCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
170.69Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.54Molar
Refractivity
42.84