N-(dodecanoyl)-sphing-4-enine-1-phosphocholine

Base Information

• Chemical Name: N-(dodecanoyl)-sphing-4-enine-1-phosphocholine
• CAS No.: 474923-21-2
• Molecular Formula: C35H71N2O6P
• Molecular Weight: 646.9
• DSSTox Substance ID: DTXSID50658075
• Wikidata: Q74417129
• Metabolomics Workbench ID: 30727
• Mol file: 474923-21-2.mol

Synonyms:N-(dodecanoyl)-sphing-4-enine-1-phosphocholine;474923-21-2;SM(d18:1/12:0);N-lauroyl-D-erythro-sphingosylphosphorylcholine;N-lauroyl-D-erythro-Sphingosylphosphoryl choline;[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate;SM d30:1;12:0 SM (d18:1/12:0);DTXSID50658075;CHEBI:137334;HZCLJRFPXMKWHR-FEBLJDHQSA-N;LMSP03010002;12:0 SM (d18:1/12:0), N-lauroyl-D-erythro-sphingosylphosphorylcholine, powder

Chemical Property of N-(dodecanoyl)-sphing-4-enine-1-phosphocholine

Chemical Property:

• Appearance/Colour: Solid
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 32
• Exact Mass: 646.50497499
• Heavy Atom Count: 44
• Complexity: 735

Purity/Quality:

99% ^*data from raw suppliers

N-LAUROYL-D-ERYTHRO-SPHINGOSYL PHOSPHORYLCHOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC)O

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