Structure Database (LMSD)

Common Name
2-hydroxy-3-methylhexadecanoic acid
Systematic Name
2-hydroxy-3-methylhexadecanoic acid
Synonyms
  • 2-hydroxy-3-methylpalmitic acid
LM ID
LMFA01050368
Formula
C17H34O3
Exact Mass
Calculate m/z
286.250795
Sum Composition
FA 17:0;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]
Hydroxy fatty acids [FA0105]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
HNRNFABXNZGOFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)17(19)20/h15-16,18H,3-14H2,1-2H3,(H,19,20)
SMILES (Click to copy)
O=C(O)C(O)C(C)CCCCCCCCCCCCC

References

Other Databases

CHEBI ID
49175
PubChem CID
24798717

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 326.39
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.06
Molar Refractivity 84.40

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Created at
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Updated at
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