Structure Database (LMSD)

Common Name
2E-Decenedioic acid
Systematic Name
2E-Decenedioic acid
Synonyms
LM ID
LMFA01170032
Formula
C10H16O4
Exact Mass
Calculate m/z
200.10486
Sum Composition
FA 10:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
XUNMWLWTZWWEIE-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H,1-4,6,8H2,(H,11,12)(H,13,14)/b7-5+
SMILES (Click to copy)
C(/C=C/CCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
2720
HMDB ID
HMDB00603
CHEBI ID
137808
PubChem CID
6442613

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 208.80
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.05
Molar Refractivity 52.11

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Created at
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Updated at
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