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Substance Name: N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate
RN: 128969-82-4
InChIKey: FIRSTKRJDGFCEJ-FVLPCCLVSA-N

Note

  • A fluorescent sulfatide used to ascertain the metabolic fate of sulfatide.

Molecular Formula

  • C63-H98-N4-O17-S3

Molecular Weight

  • 1279.68
 
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Names and Synonyms

Name of Substance

  • N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate

Synonyms

  • (R-(R*,S*,-(E)))-3,6-Bis(diethylamino)-9-(4-(((12-((2-hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)amino)-12-oxodecyl)amino)sulfonyl)-2-sulfophenyl)xanthylium hydroxide, inner salt
  • Lrh-CS
  • Sgalcer-RH

Systematic Name

  • Xanthylium, 3,6-bis(diethylamino)-9-(4-(((12-((2-hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)amino)-12-oxodecyl)amino)sulfonyl)-2-sulfophenyl)-, hydroxide, inner salt, (R-(R*,S*,-(E)))-

Registry Numbers

CAS Registry Number

  • 128969-82-4

System Generated Number

  • 0128969824

Structure Descriptors

InChI

1S/C63H98N4O17S3/c1-6-11-12-13-14-15-16-17-18-20-23-26-29-32-53(69)52(45-81-63-61(72)62(84-87(78,79)80)60(71)56(44-68)83-63)65-58(70)33-30-27-24-21-19-22-25-28-31-40-64-85(73,74)48-36-39-51(57(43-48)86(75,76)77)59-49-37-34-46(66(7-2)8-3)41-54(49)82-55-42-47(35-38-50(55)59)67(9-4)10-5/h29,32,34-39,41-43,52-53,56,60-64,68-69,71-72H,6-28,30-31,33,40,44-45H2,1-5H3,(H2-,65,70,75,76,77,78,79,80)/b32-29+/t52-,53+,56+,60-,61+,62-,63+/m0/s1

InChIKey

FIRSTKRJDGFCEJ-FVLPCCLVSA-N

Smiles

c1(c2ccc(cc2[o+]c2cc(ccc12)N(CC)CC)N(CC)CC)c1c(cc(cc1)S(=O)(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@@H](\C=C\CCCCCCCCCCCCC)O)CO[C@H]1[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O)[C@H](O1)CO)S(=O)(=O)[O-]