Structure Database (LMSD)

Common Name
7R-hydroxy-hexadecanoic acid
Systematic Name
7R-hydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050414
Formula
C16H32O3
Exact Mass
Calculate m/z
272.235146
Sum Composition
FA 16:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Avena (#4496)
Magnoliopsida (#3398)
Analysis of oil composition in cultivars and wild species of oat (Avena sp.).,
J Agric Food Chem, 2008
Pubmed ID: 18707115

String Representations

InChiKey (Click to copy)
PHFQJBDKBCFMOS-OAHLLOKOSA-N
InChi (Click to copy)
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
SMILES (Click to copy)
C(CCCCC[C@H](O)CCCCCCCCC)(=O)O

Other Databases

CHEBI ID
187327
PubChem CID
45934091

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 309.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.81
Molar Refractivity 79.85

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Updated at
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