Structure Database (LMSD)

Common Name
9-hydroxy-16-oxo-hexadecanoic acid
Systematic Name
9-hydroxy-16-oxo-hexadecanoic acid
Synonyms
LM ID
LMFA01170059
Formula
C16H30O4
Exact Mass
Calculate m/z
286.21441
Sum Composition
FA 16:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
ZEOCBNZYNJLVHK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O4/c17-14-10-6-2-4-8-12-15(18)11-7-3-1-5-9-13-16(19)20/h14-15,18H,1-13H2,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCC(O)CCCCCCC=O)(=O)O

Other Databases

CHEBI ID
138500
PubChem CID
16061043

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 315.24
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.99
Molar Refractivity 80.24

Admin

Created at
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Updated at
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