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GD1b-Ganglioside

CAT: 0862-GC0141-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GC0141-1mgSize:1 mg
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CAS Number
19553-76-5
MDL Number
MFCD00466941
HS Code
2940000080
Purity
98.00%
Molecular Formula
C84H146N4O39 . 2Na
Molecular Weight
1836.1 . 46.0
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

ganglioside GD1b

Ganglioside GD1B is a sialic acid-containing glycosphingolipid antigen and a component of the cell plasma membrane that modulates cell signal transduction, with a designation of GD1b. It can be considered as an autoantigen and is commonly associated with autoimmune neuropathies such as Guillain-Barre syndrome and multiple sclerosis.

CAS Number19553-76-5
PubChem CID6450237
IUPAC Name(2R,4R,5S,6S)-2-[3-[(2R,3R,4S,6R)-6-[(2R,3S,4S,5R,6S)-5-[(2R,3S,4S,5S,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-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-1-(octadecanoylamino)octadec-4-en-2-yl]oxyoxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-amino-6-carboxy-4-hydroxyoxan-2-yl]-2,3-dihydroxypropoxy]-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Molecular FormulaC80H144N4O37
Molecular Weight1754.0
XLogP-3.5
Topological Polar Surface Area680
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count39
Rotatable Bond Count57
Heavy Atom Count121
Formal Charge0
Complexity2950
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC(C(/C=C/CCCCCCCCCCCCC)O)O[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(C(CO[C@@]6(C[C@H]([C@@H]([C@H](O6)C(C(CO)O)O)N)O)C(=O)O)O)O)N)O)C(=O)O)O)O)O
InChI
InChI=1S/C80H144N4O37/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-54(96)83-36-49(44(91)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)111-74-65(104)63(102)67(52(40-88)114-74)116-76-66(105)72(68(53(41-89)115-76)117-73-57(84-43(3)90)71(61(100)51(39-87)112-73)118-75-64(103)62(101)60(99)50(38-86)113-75)121-80(78(108)109)35-46(93)56(82)70(120-80)59(98)48(95)42-110-79(77(106)107)34-45(92)55(81)69(119-79)58(97)47(94)37-85/h30,32,44-53,55-76,85-89,91-95,97-105H,4-29,31,33-42,81-82H2,1-3H3,(H,83,96)(H,84,90)(H,106,107)(H,108,109)/b32-30+/t44?,45-,46+,47?,48?,49?,50+,51+,52-,53+,55+,56-,57+,58?,59?,60-,61-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71+,72+,73-,74-,75-,76-,79-,80-/m1/s1
InChIKey
AIUBMTQAHKTQMI-MPGPKOMUSA-N
Chemical Structure
2D Structure
2D structure of ganglioside GD1b
CAS: 19553-76-5
CID: 6450237
Formula: C80H144N4O37
MW: 1754.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1754.0
XLogP3-3.5
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count39
Rotatable Bond Count57
Exact Mass1752.9509415
Monoisotopic Mass1752.9509415
Topological Polar Surface Area680 Ų
Heavy Atom Count121
Formal Charge0
Complexity2950
Isotope Atom Count0
Defined Atom Stereocenter Count28
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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OG03920-01GD1b-ganglioside sodium
207199Ganglioside GD1b, Disodium Salt (GD1b•2Na)
sc-202622Ganglioside GD1b disodium salt
YP-W24125-01Mouse anti-ganglioside GD1b antibody (GD1b Ab) ELISA Kit
297011-01GD1b-Ganglioside discontinued. See 207199
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