Structure Database (LMSD)

Common Name
C17 Sphingosine-1-phosphate
Systematic Name
heptadecasphing-4-enine-1-phosphate
Synonyms
  • (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate
LM ID
LMSP01050007
Status
Active
Exact Mass
Calculate m/z
365.233112
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)
VITGNIYTXHNNNE-LHMZYYNSSA-N
InChi (Click to copy)
InChI=1S/C17H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h13-14,16-17,19H,2-12,15,18H2,1H3,(H2,20,21,22)/b14-13+/t16-,17+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCC)(=O)(O)O

References

Other Databases

PubChem CID
Cayman ID
Avanti ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 374.80
Topological Polar Surface Area 113.01
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.85
Molar Refractivity 98.82

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Created at
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Updated at
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