6254-89-3 (P-SPM(鞘磷脂),N-PALMITOYL-D-SPHINGOMYELIN)

CAS号:
6254-89-3
中文名称:
P-SPM(鞘磷脂)
英文名称:
N-PALMITOYL-D-SPHINGOMYELIN
分子式:
C39H79N2O6P
分子量:
703.028133630753

P-SPM(鞘磷脂)(6254-89-3)名称与标识符

名称

中文别名:
P-SPM(鞘磷脂);
英文别名:
N-PALMITOYL-D-SPHINGOMYELIN;Palmitoyl Sphingomyelin;(2S,3R,4E)-2-(Palmitoylamino)-4-octadecene-3-hydroxy-1-phosphocholine;N-(Hexadecanoyl)-sphing-4-enine-1-phosphocholine;N-Palmitoyl-D-erythro-sphingosylphosphorylcholine;C16 Sphingomyelin;P-SPM;16:0 SM (d18:1/16:0);SM(d18:1/16:0);SM(18:1/16:0);C16-sphingomyelin;BP-29639;(2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-4-octadecen-1-yl 2-(trimethylazaniumyl)ethyl phosphate;16:0 SM (d18:1/16:0), N-palmitoyl-D-erythro-sphingosylphosphorylcholine, powder;Sphingomyelin (d18:1/16:0);palmitoyl sphingomyelin (d18:1/16:0);NS00017198;Sphingomyelin 16:0;SPHINGOMYELINS N-PALMITOYLSPHINGOMYELIN [MI];(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate;CHEMBL4526394;DTXSID401334206;CHEBI:78646;palmitoylsphingomyelin;(2-{[2-hexadecanamido-3-hydroxyoctadec-4-en-1-yl phosphono]oxy}ethyl)trimethylazanium;[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate;N-Palmitoyl-D-sphingomyelin, >=96.0% (TLC);N-hexadecanoylsphingomyelin;HY-141629;C16 Sphingomyelin (d18:1/16:0);N-Palmitoylsphingomyelin;DTXSID901312972;N-hexadecanoylsphingosine-1-phosphocholine;641628-11-7;Choline, dihydrogen phosphate, inner salt, 1-ester with N-(2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl)hexadecanamide, D-erythro-trans-;N-palmitoylsphing-4-enine-1-phosphocholine;(2S,3R,4E)-3-hydroxy-2-(palmitoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate;[(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate;6254-89-3;N-Palmitoylsphingosylphosphorylcholine;UNII-804F5DLI9L;(2S,3R,4E)-2-(palmitoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate;sphingomyelin d18:1/16:0;3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium, 4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7S)-rel-;Egg SM, Sphingomyelin (Egg, Chicken), powder;Sphingomyelin (chicken egg);Hexadecanoyl Sphingomyelin;3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium, 4-hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (R-(R*,S*-(E)))-;804F5DLI9L;N-hexadecanoylsphing-4-enine-1-phosphocholine;SM d34:1;N-palmitoylsphingosine-1-phosphocholine;Q27105084;sphingomyelin(d18:1/16:0);LMSP03010003;3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium,4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-,innersalt,4-oxide,(7S)-rel-;AKOS040754844;3,5-Dioxa-8-aza-4-phosphatetracosan-1-aminium, 4-hydroxy-7-((1R,2E)-1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7S)-;CS-0182765;SCHEMBL25705435;RWKUXQNLWDTSLO-GWQJGLRPSA-N;Sphingomyelin (Egg, Chicken);383907-87-7;1ST158352;G78524;

标识符

MDL:
MFCD02259286
InChIKey:
RWKUXQNLWDTSLO-GWQJGLRPSA-N
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
SMILES:
P(=O)([O-])(OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCC)=O)OCC[N+](C)(C)C

P-SPM(鞘磷脂)(6254-89-3)物化性质

实验特性

  • LogP : 11.23960
  • PSA : 117.73000

计算特性

  • 精确分子量 : 702.56757524g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 36
  • 同位素质量 : 702.56757524g/mol
  • 重原子数量 : 48
  • 复杂度 : 796
  • 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) : 12.3
  • 拓扑分子极性表面积 : 108Ų

P-SPM(鞘磷脂)(6254-89-3)安全信息

P-SPM(鞘磷脂)(6254-89-3)国际标准相关数据

EINECS:
MFCD02259286

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P-SPM(鞘磷脂)(6254-89-3)相关文献

P-SPM(鞘磷脂)(6254-89-3)参考资料

Beilstein:
4833682
PubChem CID: