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Substance Name: Ganglioside, GD1a
RN: 12707-58-3
InChIKey: CWLDKTAXQZEVQN-CUEXFKMESA-L

Molecular Formula

  • Unspecified

Molecular Weight

  • 1910.1
 
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Names and Synonyms

Name of Substance

  • Ganglioside, GD1a

Synonyms

  • Ganglioside GD1
  • GD(1a) Ganglioside

Systematic Name

  • Ganglioside GD1a (VAN)

Registry Numbers

CAS Registry Number

  • 12707-58-3

System Generated Number

  • 0012707583

Structure Descriptors

InChI

1S/C86H152N4O39.2Na/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-51(100)50(90-60(105)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)46-118-80-69(111)67(109)72(57(43-94)120-80)123-82-71(113)78(129-86(84(116)117)39-53(102)62(88-48(4)98)77(128-86)65(107)55(104)41-92)74(59(45-96)122-82)124-79-63(89-49(5)99)75(66(108)56(42-93)119-79)125-81-70(112)68(110)73(58(44-95)121-81)126-85(83(114)115)38-52(101)61(87-47(3)97)76(127-85)64(106)54(103)40-91;;/h34,36,50-59,61-82,91-96,100-104,106-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117);;/q;2*+1/p-2/b36-34+;;/t50-,51+,52?,53?,54-,55-,56?,57?,58?,59?,61+,62+,63?,64-,65-,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,85?,86?;;/m0../s1

InChIKey

CWLDKTAXQZEVQN-CUEXFKMESA-L

Smiles

[Na+].C1[C@@H](O)[C@@H](NC(=O)C)[C@@H]([C@H]([C@H](CO)O)O)O[C@@]1(O[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O[C@@H](OC[C@@H]([C@H](O)\C=C\CCCCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@@H]2O)O)CO)O[C@@H](CO)[C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@H]([C@H](CO)O)O)NC(C)=O)O)C(=O)[O-])CO)[C@@H]1NC(=O)C)O)CO)C(=O)[O-].[Na+]