Structure Database (LMSD)

OH O HO O
Common Name
2Z-Dodecenedioic acid
Systematic Name
2Z-Dodecenedioic acid
Synonyms
LM ID
LMFA01170033
Formula
C12H20O4
Exact Mass
Calculate m/z
228.13616
Sum Composition
FA 12:2;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)
MAZWDMBCPDUFDJ-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7-
SMILES (Click to copy)
C(/C=C\CCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
3359
CHEBI ID
169695
PubChem CID
5354373

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 243.40
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.83
Molar Refractivity 61.35

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Created at
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Updated at
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