Structure Database (LMSD)

Common Name
Glutinic acid
Systematic Name
2,3-pentadienedioic acid
Synonyms
LM ID
LMFA01170138
Formula
C5H4O4
Exact Mass
Calculate m/z
128.01096
Sum Composition
FA 5:3;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alnus glutinosa (#3517)
Magnoliopsida (#3398)
Bioactive constituents and medicinal importance of genus Alnus.,
Pharmacogn Rev, 2011
Pubmed ID: 22279375

String Representations

InChiKey (Click to copy)
FEFVVCZNGBRBSB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H4O4/c6-4(7)2-1-3-5(8)9/h2-3H,(H,6,7)(H,8,9)
SMILES (Click to copy)
C(C=C=CC(=O)O)(=O)O

Other Databases

PubChem CID
5242834

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 119.66
Topological Polar Surface Area 74.6
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP -0.13
Molar Refractivity 27.92

Admin

Created at
-
Updated at
18th Sep 2021