Structure Database (LMSD)

Common Name
3-oxo-heptadecanoic acid
Systematic Name
3-oxo-heptadecanoic acid
Synonyms
LM ID
LMFA01060109
Formula
C17H32O3
Exact Mass
Calculate m/z
284.235145
Sum Composition
FA 17:1;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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
YJFOWGUVQLQGRL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CC(=O)CCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
2225
CHEBI ID
188037
PubChem CID
5312902

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 323.75
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.12
Molar Refractivity 82.95

Admin

Created at
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Updated at
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