1. Primary Information
| English name: | GQ1b-Ganglioside |
| CAS No.: | 68652-37-9 |
| Molecular formula: | C106H194N10O56 |
| Molecular weight: | 2504.7 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)OC5(CC(C(C(O5)C(C(CO)OC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)CO)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)OC7(CC(C(C(O7)C(C(CO)OC8(CC(C(C(O8)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)NC(=O)C)O)O)O)O)C(C=CCCCCCCCCCCCCC)O.N.N.N.N |
| Structural class: | |
| Other identifiers: |
ganglioside GQ1B GQ1b ganglioside |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100ug | ≥98% | 7440 | −20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5R,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-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-hydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid;azane
4.2 InChI
InChI=1S/C106H182N6O56.4H3N/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-69(133)111-55(56(126)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)50-153-96-83(142)81(140)87(66(46-118)156-96)159-97-84(143)82(141)86(67(47-119)157-97)158-95-75(110-54(6)125)93(167-105(101(149)150)39-58(128)72(108-52(4)123)91(165-105)79(138)64(44-116)161-103(99(145)146)37-57(127)71(107-51(3)122)89(163-103)76(135)61(131)41-113)88(68(48-120)155-95)160-98-85(144)94(78(137)63(43-115)154-98)168-106(102(151)152)40-59(129)73(109-53(5)124)92(166-106)80(139)65(45-117)162-104(100(147)148)38-60(130)74(112-70(134)49-121)90(164-104)77(136)62(132)42-114;;;;/h33,35,55-68,71-98,113-121,126-132,135-144H,7-32,34,36-50H2,1-6H3,(H,107,122)(H,108,123)(H,109,124)(H,110,125)(H,111,133)(H,112,134)(H,145,146)(H,147,148)(H,149,150)(H,151,152);4*1H3/b35-33+;;;;/t55-,56+,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,71+,72+,73+,74+,75+,76+,77+,78-,79+,80+,81+,82+,83+,84+,85+,86-,87+,88-,89+,90+,91+,92+,93+,94-,95-,96+,97-,98-,103+,104+,105-,106-;;;;/m0..../s1
4.3 InChIKey
IOULOLQJODJAEM-BSALKOQBSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)OC5(CC(C(C(O5)C(C(CO)OC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)CO)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)OC7(CC(C(C(O7)C(C(CO)OC8(CC(C(C(O8)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)NC(=O)C)O)O)O)O)C(C=CCCCCCCCCCCCCC)O.N.N.N.N
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](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[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)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[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O.N.N.N.N
