Structure database (LMSD)

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LM IDLMFA01031001
Common NameC11354
Systematic Name(2E,4Z)-2-hydroxyhexa-2,4-dienoic acid
Synonyms2-Hydroxy-cis-hex-2,4-dienoate; AKOS006374931
Exact Mass
128.0473 (neutral)    Calculate m/z:
FormulaC6H8O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesHydroxy fatty acids[FA0105]
PubChem CID11953951
KEGG IDC11354
InChIKeyVPGPQVKJUYKKNN-AWYLAFAOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4+
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SMILES
O/C(/C(=O)O)=C/C=C\C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
130.81Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.09Molar
Refractivity
33.16