Structure Database (LMSD)

OH HO O OH
Common Name
10,16-dihydroxy-palmitic acid
Systematic Name
10,16-dihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050341
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)
VJZBXAQGWLMYMS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCC(O)CCCCCCO)(=O)O

References

Other Databases

KEGG ID
C08285
HMDB ID
HMDB0037798
CHEBI ID
692
PubChem CID
441449

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
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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