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Substance Name: N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin
RN: 133733-41-2
InChIKey: SSJKNCYURFUVKT-UHCPMHAVSA-N

Molecular Formula

  • C50-H78-N3-O8-P-S

Molecular Weight

  • 912.219
 
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Names and Synonyms

Name of Substance

  • N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin

Synonyms

  • 4-Hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-19-((1-pyrenylsulfonyl)amino)-3,5-dioxa-8-aza-4-phosphanonadecan-1-aminium hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E)))-
  • Psa11-spm

Systematic Name

  • 3,5-Dioxa-8-aza-4-phosphanonadecan-1-aminium, 4-hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-19-((1-pyrenylsulfonyl)amino)-, hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E)))-

Registry Numbers

CAS Registry Number

  • 133733-41-2

System Generated Number

  • 0133733412

Structure Descriptors

InChI

1S/C50H78N3O8PS/c1-5-6-7-8-9-10-11-12-13-14-17-20-23-29-46(54)45(40-61-62(56,57)60-39-38-53(2,3)4)52-48(55)30-24-21-18-15-16-19-22-25-37-51-63(58,59)47-36-34-43-32-31-41-27-26-28-42-33-35-44(47)50(43)49(41)42/h23,26-29,31-36,45-46,51,54H,5-22,24-25,30,37-40H2,1-4H3,(H-,52,55,56,57)/b29-23+/t45-,46+/m0/s1

InChIKey

SSJKNCYURFUVKT-UHCPMHAVSA-N

Smiles

C(COP(OC[C@H](NC(CCCCCCCCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34)=O)[C@@H](\C=C\CCCCCCCCCCCCC)O)([O-])=O)[N+](C)(C)C