Structure Database (LMSD)

OH OH O OH
Common Name
9,10-dihydroxy-hexadecanoic acid
Systematic Name
9,10-dihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050191
Formula
C16H32O4
Exact Mass
Calculate m/z
288.23006
Sum Composition
FA 16:0;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]

String Representations

InChiKey (Click to copy)
MHWBJDVXYSGJET-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O4/c1-2-3-4-8-11-14(17)15(18)12-9-6-5-7-10-13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCC(O)C(O)CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
2983
CHEBI ID
165417
PubChem CID
193113

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 81.75

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Created at
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Updated at
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