Structure Database (LMSD)

Common Name
16-hydroxy-9E-hexadecenoic acid
Systematic Name
16-hydroxy-9E-hexadecenoic acid
Synonyms
LM ID
LMFA01050192
Formula
C16H30O3
Exact Mass
Calculate m/z
270.219495
Sum Composition
FA 16:1;O
Status
Active
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
RPQJFAIEPUKQHK-HNQUOIGGSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3,17H,2,4-15H2,(H,18,19)/b3-1+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCCCCO)(=O)O

Other Databases

LIPIDAT ID
4732
CHEBI ID
137801
PubChem CID
5312762

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 306.45
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.59
Molar Refractivity 79.76

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Created at
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Updated at
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