Structure Database (LMSD)

Common Name
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one
Systematic Name
2-hydroxy-4-oxoheptadec-16-yn-1-yl acetate
Synonyms
LM ID
LMFA05000595
Formula
C19H32O4
Exact Mass
Calculate m/z
324.23006
Sum Composition
FOH 19:4;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
HZHSVQVECJXVRP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,19,22H,4-16H2,2H3
SMILES (Click to copy)
C#CCCCCCCCCCCCC(=O)CC(O)COC(C)=O

References

Other Databases

HMDB ID
HMDB0031007
CHEBI ID
171783
PubChem CID
6710762

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 361.86
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.37
Molar Refractivity 92.89

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Created at
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Updated at
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