Structure Database (LMSD)

OH O O O
Common Name
6,9-dioxo-decanoic acid
Systematic Name
6,9-dioxo-decanoic acid
Synonyms
LM ID
LMFA01060080
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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
BEPSZXZHUPDOJB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O4/c1-8(11)6-7-9(12)4-2-3-5-10(13)14/h2-7H2,1H3,(H,13,14)
SMILES (Click to copy)
C(CCCCC(=O)CCC(=O)C)(=O)O

References

Other Databases

LIPIDAT ID
3193
CHEBI ID
168776
PubChem CID
5312881

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 71.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 1.57
Molar Refractivity 51.03

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Created at
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Updated at
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