Structure Database (LMSD)

Common Name
Sphingosine-1-phosphate
Systematic Name
Sphing-4-enine-1-phosphate
Synonyms
LM ID
LMSP01050001
Status
Active
Exact Mass
Calculate m/z
379.248762
Formula
C18H38NO5P
Abbrev
SPBP 18:1;O2
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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 1-phosphates [SP0105]

String Representations

InChiKey (Click to copy)
DUYSYHSSBDVJSM-KRWOKUGFSA-N
InChi (Click to copy)
InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
SMILES (Click to copy)
OP(OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCCC)(=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

Wikipedia
Sphingosine-1-phosphate
KEGG ID
C06124
HMDB ID
HMDB0000277
CHEBI ID
37550
PubChem CID
5283560
SwissLipids ID
SLM:000000438
Cayman ID
62570

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 392.10
Topological Polar Surface Area 113.01
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.24
Molar Refractivity 103.44

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

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Updated at
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