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GA1-Ganglioside

CAT: 0926-OG16191-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-OG16191-01Size:1 mg
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CAS Number
71012-19-6
Synonyms
Ganglio-N-tetraosylceramide; Ceramide tetrahexoside
MDL Number
MFCD00131128
Smiles
CCCCCCCCCCCCCCCCCC (=O) NC (COC1[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) O) O) O) C (/C=C/CCCCCCCCCCCCC) O
Molecular Formula
C62H114N2O23
Molecular Weight
1,255.57 g/mol
Controlled
No

Chemical Information

asialo GM1 ganglioside
CAS Number71012-19-6
PubChem CID6450363
IUPAC NameN-[(E)-1-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5R,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-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide
Molecular FormulaC62H114N2O23
Molecular Weight1255.6
XLogP6.5
Topological Polar Surface Area395
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count23
Rotatable Bond Count45
Heavy Atom Count87
Formal Charge0
Complexity1830
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(COC1[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)O)O)O)C(/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-54(78)51(75)57(44(36-67)83-60)86-62-55(79)52(76)56(45(37-68)84-62)85-59-47(63-39(3)69)58(49(73)43(35-66)81-59)87-61-53(77)50(74)48(72)42(34-65)82-61/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40?,41?,42-,43-,44-,45-,47-,48+,49+,50+,51-,52-,53-,54-,55-,56+,57-,58-,59+,60?,61+,62+/m1/s1
InChIKey
VELGMVLNORPMAO-JTFNWEOFSA-N
Chemical Structure
2D Structure
2D structure of asialo GM1 ganglioside
CAS: 71012-19-6
CID: 6450363
Formula: C62H114N2O23
MW: 1255.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1255.6
XLogP36.5
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count23
Rotatable Bond Count45
Exact Mass1254.78123789
Monoisotopic Mass1254.78123789
Topological Polar Surface Area395 Ų
Heavy Atom Count87
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W714151-01Ganglioside ga1
GC0885-1mgGA1-Ganglioside
207067-01Asialo-Ganglioside GM1 (Ceramide tetrahexoside, Gangliotetraosylceramide, Asialoganglioside-GM1, GA1-Ganglioside)
HY-N3781Dregeoside Ga1
sc-20074CFTR (GA1)
GTR17954951GA1 Antibody
369671Asialo-Ganglioside GM1 (Ceramide tetrahexoside, Gangliotetraosylceramide, Asialoganglioside-GM1, GA1-Ganglioside, Gg4) discontinued. See 451083
A3785-11BAsialo GM1 (Asialoganglioside GM1, Ganglioside Asialo GM1, GA1) discontinued. See A3785-20
A03B37-GA1Mouse anti-human IgA mAb (GA1)
AR-G01128-01Ganglioside M2 (GM2-Ganglioside)

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