Structure Database (LMSD)

Common Name
2,10-dihydroxy-4,6,8-decatriynoic acid
Systematic Name
2,10-dihydroxy-4,6,8-decatriynoic acid
Synonyms
  • 4,6,8-Decatriynoic acid, 2,10-dihydroxy-
LM ID
LMFA01050235
Formula
C10H8O4
Exact Mass
Calculate m/z
192.04226
Sum Composition
FA 10:6;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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
RPSSCYORFZCANO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H8O4/c11-8-6-4-2-1-3-5-7-9(12)10(13)14/h9,11-12H,7-8H2,(H,13,14)
SMILES (Click to copy)
C(C(O)CC#CC#CC#CCO)(=O)O

References

Other Databases

PubChem CID
5312795

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 198.24
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP -0.60
Molar Refractivity 49.68

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Created at
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Updated at
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