Structure Database (LMSD)

Common Name
C19 Sphingosine-1-phosphate
Systematic Name
Nonadecaphing-4-enine-1-phosphate
Synonyms
LM ID
LMSP01050004
Status
Active
Exact Mass
Calculate m/z
393.264412
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)
ZWOGUYCCVIDLTK-OVMWUVNSSA-N
InChi (Click to copy)
InChI=1S/C19H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)18(20)17-25-26(22,23)24/h15-16,18-19,21H,2-14,17,20H2,1H3,(H2,22,23,24)/b16-15+/t18-,19+/m0/s1
SMILES (Click to copy)
OP(OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 409.40
Topological Polar Surface Area 113.01
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.63
Molar Refractivity 108.05

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Updated at
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