Structure Database (LMSD)

Common Name
9-Keto heptadecylic acid
Systematic Name
9-oxo-heptadecanoic acid
Synonyms
  • 9-keto margaric acid
LM ID
LMFA01060059
Formula
Exact Mass
Calculate m/z
284.235145
Sum Composition
Status
Active

Classification

String Representations

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

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0443
PubChem CID

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

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Created at
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Updated at
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