Structure Database (LMSD)

Common Name
(+)-12-hydroxy-9Z-hexadecenoic acid
Systematic Name
(+)-12-hydroxy-9Z-hexadecenoic acid
Synonyms
  • 9-Hexadecenoic acid, 12-hydroxy-, (Z)-(+)-
LM ID
LMFA01050270
Formula
C16H30O3
Exact Mass
Calculate m/z
270.219495
Sum Composition
FA 16:1;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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
JPBAMKISCJZBKR-NTMALXAHSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c1-2-3-12-15(17)13-10-8-6-4-5-7-9-11-14-16(18)19/h8,10,15,17H,2-7,9,11-14H2,1H3,(H,18,19)/b10-8-
SMILES (Click to copy)
C(CCCCCCC/C=C\CC(O)CCCC)(=O)O

Other Databases

LIPIDAT ID
4727
CHEBI ID
186694
PubChem CID
5312823
PlantFA ID
10521

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
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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Updated at
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