Structure database (LMSD)

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LM IDLMFA01170061
Common Name2-hydroxy-2-butenedioic acid
Systematic Name2-hydroxy-2-butenedioic acid
Synonyms2-Hydroxybut-2-enedioic acid
Exact Mass
132.0059 (neutral)    Calculate m/z:
FormulaC4H4O5
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
PubChem CID54675764
KEGG IDC03981
CHEBI ID28394
InChIKeyUWYVPFMHMJIBHE-UPHRSURJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-
SMILESC(/O)(\C(=O)O)=C/C(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
113.79Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP-0.40Molar
Refractivity
25.98