Structure Database (LMSD)

Common Name
2-hydroxy behenic
Systematic Name
2-hydroxy-docosanoic acid
Synonyms
LM ID
LMFA01050077
Status
Active
Exact Mass
Calculate m/z
356.329045
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)
RPGJJWLCCOPDAZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCC(O)C(=O)O)CCCCCCCC

References

Other Databases

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

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 412.89
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.15
Molar Refractivity 107.55

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Created at
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Updated at
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