Structure Database (LMSD)

Common Name
Psychosine
Systematic Name
1-β-galactosyl-sphing-4-enine
Synonyms
  • Galactosylsphingosine
LM ID
LMSP07000001
Status
Active
Exact Mass
Calculate m/z
461.335254
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)
HHJTWTPUPVQKNA-FTGCVQCNSA-N
InChi (Click to copy)
InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22?,23?,24+/m0/s1
SMILES (Click to copy)
[H][C@](O)([C@@]([H])(N)CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)/C=C/CCCCCCCCCCCCC

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 481.29
Topological Polar Surface Area 147.70
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 7
logP 4.32
Molar Refractivity 128.48

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Created at
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Updated at
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