Structure Database (LMSD)

OH O HO
Common Name
10-hydroxy-8E-Decene-4,6-diynoic acid
Systematic Name
10-hydroxy-8E-Decene-4,6-diynoic acid
Synonyms
LM ID
LMFA01030712
Formula
C10H10O3
Exact Mass
Calculate m/z
178.062995
Sum Composition
FA 10:5;O
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]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
JIPUTTVWDAXSEZ-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,6,8-9H2,(H,12,13)/b7-5+
SMILES (Click to copy)
C(CCC#CC#C/C=C/CO)(=O)O

References

Other Databases

LIPIDAT ID
4554
CHEBI ID
187365
PubChem CID
9543621

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 192.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.69
Molar Refractivity 49.14

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Created at
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Updated at
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