C24:1 Sphingomyelin

Base Information

• Chemical Name: C24:1 Sphingomyelin
• CAS No.: 94359-13-4
• Molecular Formula: C47H93N2O6P
• Molecular Weight: 813.2
• Wikidata: Q27144714
• Metabolomics Workbench ID: 30732
• ChEMBL ID: CHEMBL4545046
• Mol file: 94359-13-4.mol

Synonyms:C24:1 Sphingomyelin;94359-13-4;SM(d18:1/24:1(15Z));N-(15Z-tetracosenoyl)-sphing-4-enine-1-phosphocholine;[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate;N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine;(7S,23Z)-4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-ph;24:1 SM;CHEMBL4545046;CHEBI:74535;WKZHECFHXLTOLJ-QYKFWSDSSA-N;LMSP03010007;N-Nervonoyl-D-erythro-sphingosylphosphorylcholine;N-(15Z-tetracosenoyl)sphing-4-enine-1-phosphocholine;Q27144714;24:1 SM, N-nervonoyl-D-erythro-sphingosylphosphorylcholine, powder;(2-{[3-hydroxy-2-[tetracos-15-enamido]octadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium;(2S,3R,4E)-3-hydroxy-2-[(15Z)-tetracos-15-enoylamino]octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate;3,5-Dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium, 4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7S,23Z)-;3,5-Dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium,4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-,innersalt,4-oxide,(7S,23Z)-

Chemical Property of C24:1 Sphingomyelin

Chemical Property:

• Appearance/Colour: Solid
• XLogP3: 15.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 43
• Exact Mass: 812.67712569
• Heavy Atom Count: 56
• Complexity: 961

Purity/Quality:

99% ^*data from raw suppliers

(7S,23Z)-4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium4-OxideInnerSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Lipids -> Sphingolipids
• Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O
• Uses: (7S,23Z)-4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium 4-Oxide Inner Salt 4-Oxide is one of the 25 key sphingolipids and phosphosphingolipids in human plasma.