Structure Database (LMSD)

Common Name
2-AOD-3-ol
Systematic Name
2-amino-14,16-dimethyloctadecan-3-ol
Synonyms
LM ID
LMSP01080031
Status
Active
Exact Mass
Calculate m/z
313.334464
Formula


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)
PRIXJBFEYXJGPF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H43NO/c1-5-17(2)16-18(3)14-12-10-8-6-7-9-11-13-15-20(22)19(4)21/h17-20,22H,5-16,21H2,1-4H3
SMILES (Click to copy)
C(C)(N)C(O)CCCCCCCCCCC(C)CC(C)CC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Fusarium avenaceum (#40199)
Sordariomycetes (#147550)
2-Amino-14,16-dimethyloctadecan-3-ol, a new sphingosine analogue toxin in the fungal genus Fusarium.,
Toxicon, 2005
Pubmed ID: 16084551

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 374.35
Topological Polar Surface Area 46.25
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.24
Molar Refractivity 100.09

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Created at
-
Updated at
14th Apr 2022