Structure database (LMSD)

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LM IDLMFA01020394
Common Name2-methylideneglutaric acid
Systematic Name2-methylidenepentanedioic acid
Synonyms-
Exact Mass
144.0423 (neutral)    Calculate m/z:
FormulaC6H8O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 6:2;O2
PubChem CID95155
KEGG IDC02930
CHEBI ID17207
InChIKeyCWNNYYIZGGDCHS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h1-3H2,(H,7,8)(H,9,10)
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SMILES
C(=O)(O)C(=C)CCC(O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
139.60Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP0.49Molar
Refractivity
33.65