Structural formula of N-Hexanoyl-biotin-monosialoganglioside GM1

N-Hexanoyl-biotin-monosialoganglioside GM1

Product number: 39-4001
CAS number: 2692623-20-2
Synonyms: (3aS,4S,6aR)-N-[6-[[(1S,2R,3E)-1-[[[O-β-D-Galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[N-acetyl-α-neuraminosyl-(2→3)]-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]amino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

Identifiers

CAS Index Name: 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[6-[[(1S,2R,3E)-1-[[[O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[N-acetyl-α-neuraminosyl-(2→3)]-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]amino]-6-oxohexyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
Molecular formula: C71H122N6O33S
Molecular weight: 1619.82
Smiles: O=C(O)C1(OC2C(O)C(OC(CO)C2OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3NC(=O)C)OC5C(O)C(O)C(OCC(NC(=O)CCCCCNC(=O)CCCCC6SCC7NC(=O)NC67)C(O)C=CCCCCCCCCCCCCC)OC5CO)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
Isomeric Smiles: O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@H]2[C@@H](O[C@H]3[C@H](NC(C)=O)[C@@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](CO)O3)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)O[C@@H](OC[C@H](NC(CCCCCNC(CCCC[C@H]6[C@@]7([C@](CS6)(NC(=O)N7)[H])[H])=O)=O)[C@@H](/C=C/CCCCCCCCCCCCC)O)[C@H](O)[C@H]5O)[C@@H]2O
InChI: InChI=1S/C71H122N6O33S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22-39(85)37(75-48(89)25-18-16-21-26-72-47(88)24-20-19-23-46-49-38(34-111-46)76-70(100)77-49)33-101-66-58(96)56(94)61(44(31-81)104-66)107-68-59(97)64(110-71(69(98)99)27-40(86)50(73-35(2)83)63(109-71)52(90)41(87)28-78)62(45(32-82)105-68)108-65-51(74-36(3)84)54(92)60(43(30-80)103-65)106-67-57(95)55(93)53(91)42(29-79)102-67/h17,22,37-46,49-68,78-82,85-87,90-97H,4-16,18-21,23-34H2,1-3H3,(H,72,88)(H,73,83)(H,74,84)(H,75,89)(H,98,99)(H2,76,77,100)/b22-17+/t37-,38-,39+,40-,41+,42+,43+,44+,45+,46-,49-,50+,51+,52+,53-,54+,55-,56+,57+,58+,59+,60-,61+,62-,63+,64+,65-,66+,67-,68-,71-/m0/s1
InChIKey: InChIKey=NFFZZDYHVNYBJB-QHIBRLRXSA-N

Product information

Purity: >99%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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39-4001-45N-Hexanoyl-biotin-monosialoganglioside GM1 - 500 ug885.00