CAS: 19553-76-5 | GD1b-Ganglioside, NX77317
SKU: NX77317-1MG
Product Identifiers
Catalog # | NX77317 |
CAS Number | 19553-76-5 |
PubChem CID | 92132037 |
Chemical Name | GD1b-Ganglioside |
IUPAC Name | (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid |
InChI | InChI=1S/C84H148N4O40/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-57(102)87-47(48(98)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)44-117-78-69(111)67(109)71(55(41-93)120-78)122-80-70(112)76(72(56(42-94)121-80)123-77-61(86-46(4)97)73(64(106)53(39-91)118-77)124-79-68(110)66(108)63(105)52(38-90)119-79)128-84(82(115)116)36-49(99)59(85-45(3)96)75(127-84)65(107)54(40-92)125-83(81(113)114)35-50(100)60(88-58(103)43-95)74(126-83)62(104)51(101)37-89/h31,33,47-56,59-80,89-95,98-101,104-112H,5-30,32,34-44H2,1-4H3,(H,85,96)(H,86,97)(H,87,102)(H,88,103)(H,113,114)(H,115,116)/b33-31+/t47?,48?,49-,50-,51+,52+,53+,54+,55+,56+,59+,60+,61+,62+,63-,64-,65+,66-,67+,68+,69+,70+,71+,72-,73+,74+,75+,76+,77-,78+,79-,80-,83+,84-/m0/s1 |
InChIKey | VPUOVUBYFYUBRY-INNWTUFDSA-N |
SMILES | CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O |
MDL Number | MFCD00466941 |
Specification
MW | 1836.1 . 46.0 |
MF | C84H146N4O39 . 2Na |
Product Notes | -20¡C |
Cat Number | GC0141 |
Manufacturer | Glentham Life Sciences |
Country of Origin | United Kingdom |