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Substance Name: 3-Sulfo-Le(x) pentaosylceramide
RN: 162635-35-0
InChIKey: XGFHUVUCQYBVJC-XFYDBFONSA-M

Molecular Weight

  • 1692.03
 
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Names and Synonyms

Name of Substance

  • 3-Sulfo-Le(x) pentaosylceramide

Synonym

  • 3-Sulfo-Le(x) pentaosyl ceramide

Registry Numbers

CAS Registry Number

  • 162635-35-0

System Generated Number

  • 0162635350

Structure Descriptors

InChI

1S/C81H140N2O31S.Na/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-41-45-60(89)83-54(55(105-76(99)53-42-38-37-39-43-53)44-40-35-33-31-29-27-18-16-14-12-10-8-6-2)50-103-78-68(96)66(94)71(58(48-86)109-78)110-80-69(97)74(63(91)56(46-84)106-80)113-77-61(82-52(4)88)73(112-79-67(95)65(93)62(90)51(3)104-79)72(59(49-87)108-77)111-81-70(98)75(114-115(100,101)102)64(92)57(47-85)107-81;/h37-40,42-44,51,54-59,61-75,77-81,84-87,90-98H,5-36,41,45-50H2,1-4H3,(H,82,88)(H,83,89)(H,100,101,102);/q;+1/p-1/b44-40+;

InChIKey

XGFHUVUCQYBVJC-XFYDBFONSA-M

Smiles

C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H](OC(=O)c1ccccc1)\C=C\CCCCCCCCCCCCC)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2NC(C)=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O2)O[C@@H]2O[C@@H]([C@@H]([C@@H](OS([O-])(=O)=O)[C@@H]2O)O)CO)CO)[C@@H]1O)O)CO)O.[Na+]