Structure Database (LMSD)

HO O OH
Common Name
Ambrettolic acid
Systematic Name
16-hydroxy-7-hexadecenoic acid
Synonyms
LM ID
LMFA01050106
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

Main

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)
MKIFOPBVDBXRTO-DUXPYHPUSA-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/h2,4,17H,1,3,5-15H2,(H,18,19)/b4-2+
SMILES (Click to copy)
C(CCCCCCO)C/C=C/CCCCCC(=O)O

References

Other Databases

LIPIDBANK ID
DFA0372
PubChem CID
5282940
PlantFA ID
10271

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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