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Substance Name: Lactogangliotetraosylceramide
RN: 107221-01-2
InChIKey: YAVBLHXWKRSXJS-NHFVQZBWSA-N

Molecular Formula

  • C70-H129-N3-O23

Molecular Weight

  • 1380.79
 
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Names and Synonyms

Name of Substance

  • Lactogangliotetraosylceramide

Synonym

  • LcGg4

Systematic Name

  • Tetracosanamide, N-(1-((((O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3))-O-beta-D-galactopyranosyl)-(1-4)-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecenyl)-, (R-(R*,S*-(E)))-

Registry Numbers

CAS Registry Number

  • 107221-01-2

System Generated Number

  • 0107221012

Structure Descriptors

InChI

1S/C70H129N3O23/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-54(81)73-48(49(80)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)45-89-69-62(87)61(86)64(52(43-76)92-69)94-70-63(88)66(96-68-56(72-47(4)79)60(85)58(83)51(42-75)91-68)65(53(44-77)93-70)95-67-55(71-46(3)78)59(84)57(82)50(41-74)90-67/h37,39,48-53,55-70,74-77,80,82-88H,5-36,38,40-45H2,1-4H3,(H,71,78)(H,72,79)(H,73,81)/b39-37+

InChIKey

YAVBLHXWKRSXJS-NHFVQZBWSA-N

Smiles

O1[C@@H]([C@@H](O)[C@@H]([C@@H]([C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)NC(C)=O)[C@@H](O)[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2CO)OC[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@@H](O)\C=C\CCCCCCCCCCCCC)O)O)O[C@@H]1CO)NC(C)=O)O)CO