58909-84-5 (3,5-二氧杂-8-氮杂-4-磷六烷-1-胺,4-羟基-7-[(1R,2E)-1-羟基-2-十六烯-1-基]-N,N,N-三甲基-9-氧代-,内盐,4-氧化物,(7S)-,3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium,4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7S)-)

CAS号:
58909-84-5
中文名称:
3,5-二氧杂-8-氮杂-4-磷六烷-1-胺,4-羟基-7-[(1R,2E)-1-羟基-2-十六烯-1-基]-N,N,N-三甲基-9-氧代-,内盐,4-氧化物,(7S)-
英文名称:
3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium,4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7S)-
分子式:
C41H83N2O6P
分子量:
731.081294298172
简介:
N-Stearoylsphingomyelin (N-Stearoyl-D-sphingomyelin) 是一种鞘磷脂,能抑制磷脂酶 Cδ1 (PLCδ1)。

3,5-二氧杂-8-氮杂-4-磷六烷-1-胺,4-羟基-7-[(1R,2E)-1-羟基-2-十六烯-1-基]-N,N,N-三甲基-9-氧代-,内盐,4-氧化物,(7S)-(58909-84-5)名称与标识符

名称

中文别名:
N-硬脂酰-D-鞘磷脂;
英文别名:
3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium,4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-, innersalt, 4-oxide, (7S)-;N-stearoyl-D-erythro-sphingosylphosphorylcholine;3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium,4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-, innersa;D-erythro-2-N-stearoylsphingosyl-1-phosphocholine;(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate;2,3-(N-Steroylsphingosyl)-1-phosphocholine;2,3-Sppc;3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-, hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E)))-;N-Stearoylsphingomyelin;N-stearoylsphing-4-enine-1-phosphocholine;SM d36:1;Ethanaminium,2-[[hydroxy[[(2R,3S,4E)-3-hydroxy-2-[(1-oxooctadecyl)amino]-4-octadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-,innersalt,rel-;DTXSID501313528;(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate;[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate;N-(octadecanoyl)-sphing-4-enine-1-phosphocholine;stearoyl sphingomyelin;HY-148388;BML3-D05;05UG6280NI;(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate;N-Octadecanoylsphingosylphosphorylcholine;SCHEMBL14889266;Sphingomyelin from Bovine Brain;Ethanaminium, 2-[[hydroxy[[(2R,3S,4E)-3-hydroxy-2-[(1-oxooctadecyl)amino]-4-octadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt, rel-;(2-{[(2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium;N-stearoylsphingosine-1-phosphocholine;CS-0621186;Sphingomyelin (d18:1/18:0);58909-84-5;sphingomyelin 18:0;Q27156784;AKOS037645436;SPHINGOMYELINS N-STEAROYLSPHINGOMYELIN [MI];Sphingomyelin (bovine spinal cord);NCGC00161363-01;3,5-DIOXA-8-AZA-4-PHOSPHAHEXACOSAN-1-AMINIUM, 4-HYDROXY-7-(1-HYDROXY-2-HEXADECENYL)-N,N,N-TRIMETHYL-9-OXO-, INNER SALT, 4-OXIDE, (R-(R*,S*-(E)))-;N-Acyl-4-sphingenyl-1-O-phosphorylcholine;N-Acyl-D-sphingosine-1-phosphocholine;3,5-DIOXA-8-AZA-4-PHOSPHAHEXACOSAN-1-AMINIUM, 4-HYDROXY-7-((1R,2E)-1-HYDROXY-2-HEXADECENYL)-N,N,N-TRIMETHYL-9-OXO-, INNER SALT, 4-OXIDE, (7S)-;LMSP03010001;CHEMBL1609656;CHEBI:83358;18:0 SM (d18:1/18:0), N-stearoyl-D-erythro-sphingosylphosphorylcholine, powder;UNII-05UG6280NI;N-stearoylsphingosine-phosphorylcholine;C18 Sphingomyelin;AS-60769;N-octadecanoylsphing-4-enine-1-phosphocholine;N-octadecanoylsphingosine-1-phosphocholine;Brain SM, Sphingomyelin (Brain, Porcine), powder;SM(d18:1/18:0);134731-80-9;stearoylsphingomyelin;3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7S)-;LKQLRGMMMAHREN-YJFXYUILSA-N;G77945;1ST170769;85187-10-6;

标识符

InChIKey:
LKQLRGMMMAHREN-YJFXYUILSA-N
Inchi:
1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1
SMILES:
P(=O)([O-])(OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)OCC[N+](C)(C)C

3,5-二氧杂-8-氮杂-4-磷六烷-1-胺,4-羟基-7-[(1R,2E)-1-羟基-2-十六烯-1-基]-N,N,N-三甲基-9-氧代-,内盐,4-氧化物,(7S)-(58909-84-5)物化性质

实验特性

  • LogP : 12.01980

计算特性

  • 精确分子量 : 730.599
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 38
  • 同位素质量 : 730.599
  • 重原子数量 : 50
  • 复杂度 : 826
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 13.4
  • 拓扑分子极性表面积 : 108A^2

3,5-二氧杂-8-氮杂-4-磷六烷-1-胺,4-羟基-7-[(1R,2E)-1-羟基-2-十六烯-1-基]-N,N,N-三甲基-9-氧代-,内盐,4-氧化物,(7S)-(58909-84-5)安全信息

3,5-二氧杂-8-氮杂-4-磷六烷-1-胺,4-羟基-7-[(1R,2E)-1-羟基-2-十六烯-1-基]-N,N,N-三甲基-9-氧代-,内盐,4-氧化物,(7S)-(58909-84-5)推荐厂家 更多厂家(15)

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