Structure Database (LMSD)

Common Name
2E,4E,6E,8E-Decatetraenedioic acid
Systematic Name
2E,4E,6E,8E-Decatetraenedioic acid
Synonyms
LM ID
LMFA01170005
Status
Active
Exact Mass
Calculate m/z
194.05791
Formula
C10H10O4
Abbrev
FA 10:5;O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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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)
QHYKVJVPIJCRRT-QEQQUMNJSA-N
InChi (Click to copy)
InChI=1S/C10H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H,(H,11,12)(H,13,14)/b3-1+,4-2+,7-5+,8-6+
SMILES (Click to copy)
C(/C=C/C=C/C=C/C=C/C(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
2688
CHEBI ID
49057
PubChem CID
5812560

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 200.88
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 1.38
Molar Refractivity 51.83

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Created at
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Updated at
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