Ganglioside GD3 ammonium salt

Catalog NumberBL-M001099
CAS Number1246353-20-7
DescriptionGanglioside GD3 ammonium salt is used for experimental studies on cancer therapy, especially for melanoma. Shows potential for inducing tumor cell death and inhibiting tumor growth. May also have applications in neurobiological research due to its role in neural development and function.
IUPAC Namediazanium;5-acetamido-2-[(2R,3R)-3-[3-acetamido-6-carboxylato-6-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxan-2-yl]-2,3-dihydroxypropoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SynonymsGD3 Ganglioside (Milk, Bovine-Ammonium Salt)
Molecular Weight1506.8
Molecular FormulaC70H131N5O29
Purity>99%
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 55.80%, H 8.76%, N 4.65%, O 30.79%
Canonical SMILESCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(COC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)NC(=O)C)O)C(=O)[O-])O)O)O)C(C=CCCCCCCCCCCCCC)O.[NH4+].[NH4+]
InChIInChI=1S/C70H125N3O29.2H3N/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(79)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-95-65-59(89)58(88)61(51(39-76)98-65)99-66-60(90)64(57(87)50(38-75)97-66)102-70(68(93)94)36-47(81)54(72-43(4)78)63(101-70)56(86)49(83)41-96-69(67(91)92)35-46(80)53(71-42(3)77)62(100-69)55(85)48(82)37-74;;/h31,33,44-51,53-66,74-76,79-83,85-90H,5-30,32,34-41H2,1-4H3,(H,71,77)(H,72,78)(H,73,84)(H,91,92)(H,93,94);2*1H3/b33-31+;;/t44-,45+,46?,47?,48+,49+,50?,51?,53?,54?,55+,56+,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,69?,70?;;/m0../s1
InChI KeyNWQVUBUHCJRGFV-LTFHOSCDSA-N

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