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
C20H43NO
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

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
168138
PubChem CID
10236627

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

Admin

Created at
-
Updated at
14th Apr 2022