Structure Database (LMSD)

Common Name
Isotricosanoic acid
Systematic Name
21-methyl-docosanoic acid
Synonyms
LM ID
LMFA01020230
Status
Active
Exact Mass
Calculate m/z
354.34978
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)
BQKXBLINRIKSGC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H46O2/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCC(C)C)(=O)O

References

Other Databases

LIPIDAT ID
5135
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 421.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.14
Molar Refractivity 110.20

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Created at
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Updated at
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