Structure Database (LMSD)
Common Name
C19 Sphingosine-1-phosphate
Systematic Name
Nonadecaphing-4-enine-1-phosphate
Synonyms
LM ID
LMSP01050004
Formula
Exact Mass
Calculate m/z
393.264412
Sum Composition
Status
Active
3D model of C19 Sphingosine-1-phosphate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
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
Other Databases
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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Created at
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Updated at
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