Cas no 121999-55-1 (C14 Sphingomyelin)
C14 Sphingomyelin structure
Product Name:C14 Sphingomyelin
CAS No:121999-55-1
MF:C37H75N2O6P
MW:674.974972963333
CID:4740657
PubChem ID:11433862
Update Time:2024-03-01
C14 Sphingomyelin Chemical and Physical Properties
Names and Identifiers
-
- C14 Sphingomyelin
- SM(d18:1/14:0)
- N-(tetradecanoyl)-sphing-4-enine-1-phosphocholine
- N-myristoylsphingosine-1-phosphocholine
- SM d32:1
- sphingomyelin (d18:1/14:0)
- LMSP03010028
- N-(myristoyl)sphing-4-enine-1-phosphocholine
- N-(tetradecanoyl)sphing-4-enine-1-phosphocholine
- Q27133311
- (2-{[3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium
- 14:0 SM (d18:1/14:0), N-myristoyl-D-erythro-sphingosylphosphorylcholine, powder
- (2S,3R,4E)-3-hydroxy-2-(tetradecanoylamino)
- (2S,3R,4E)-3-hydroxy-2-(tetradecanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
- [(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
- CHEBI:64486
- 121999-55-1
-
- Inchi： 1S/C37H75N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h28,30,35-36,40H,6-27,29,31-34H2,1-5H3,(H-,38,41,42,43)/b30-28+/t35-,36+/m0/s1
- InChI Key： KYICBZWZQPCUMO-PSALXKTOSA-N
- SMILES： P(=O)([O-])(OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCC)=O)OCC[N+](C)(C)C
Computed Properties
- Exact Mass: 674.53627511g/mol
- Monoisotopic Mass: 674.53627511g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 46
- Rotatable Bond Count: 34
- Complexity: 765
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.2
- Topological Polar Surface Area: 108
C14 Sphingomyelin Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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