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16:0-[d31] SM

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General Information
Catalog: BLP-011445
CAS: 807617-46-5
Molecular Formula: C39H48D31N2O6P
Molecular Weight: 734.22

Chemical Structure

Description	16:0-[d31] SM is an isotopic labelled compound of 16:0 SM (d18:1/16:0). Sphingomyelins (SMs) are bioactive sphingolipids found in mammalian cell membranes. Sphingomyelin obtained from natural sources, such as eggs or bovine brain, contains fatty acids of various chain length.
Synonyms	N-palmitoyl-d31-D-erythro-sphingosylphosphorylcholine; N-hexadecanoyl(d31)-sphingomyelin
IUPAC Name	[(E,2S,3R)-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Related CAS	6254-89-3 (unlabelled)
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O
InChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1/i2D3,7D2,9D2,11D2,13D2,15D2,17D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2,33D2
InChI Key	RWKUXQNLWDTSLO-XDEXOTOPSA-N
Purity	>99%
Storage	Store at −20°C