Structure Database (LMSD)

Common Name
(2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid
Systematic Name
(2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid
Synonyms
  • (Z,Z)-2-hydroxyhexa-2,4-dienoic acid
LM ID
LMFA01030943
Formula
C6H8O3
Exact Mass
Calculate m/z
128.047345
Sum Composition
FA 6:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
VPGPQVKJUYKKNN-LDIADDGTSA-N
InChi (Click to copy)
InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4-
SMILES (Click to copy)
C(=C/C)/C=C(\O)/C(O)=O

Other Databases

CHEBI ID
63735
PubChem CID
5281908

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 130.81
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.09
Molar Refractivity 33.16

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Created at
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Updated at
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