Structure Database (LMSD)

Common Name
Anteisoheptadecanoic acid
Systematic Name
14-methyl-hexadecanoic acid
Synonyms
  • (+)-14-methyl palmitic acid
  • Anteisomargaric acid
LM ID
LMFA01020011
Status
Active
Exact Mass
Calculate m/z
270.25588
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FXUKWLSZZHVEJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
SMILES (Click to copy)
C(CCCC(C)CC)CCCCCCCCC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.80
Molar Refractivity 82.49

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Created at
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Updated at
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