Structure Database (LMSD)

Common Name
4,14-dihydroxy-octadecanoic acid
Systematic Name
4,14-dihydroxy-octadecanoic acid
Synonyms
LM ID
LMFA02000175
Formula
C18H36O4
Exact Mass
Calculate m/z
316.26136
Sum Composition
FA 18:0;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
MLYHYWRMEKZFCF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O4/c1-2-3-11-16(19)12-9-7-5-4-6-8-10-13-17(20)14-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCC(O)CCCCCCCCCC(O)CCCC)(=O)O

Other Databases

LIPIDAT ID
3010
CHEBI ID
197130
PubChem CID
5312767

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.85
Molar Refractivity 90.99

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Created at
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Updated at
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