Analyte Name

Ganglioside GT1b trisodium salt

CAS Number

59247-13-1

Molecular Formula

C95H162N5Na3O47

Molecular Weight

2195.28

Accurate Mass

2194.0133

SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5(CC(O)C(\N=C(\C)/O[Na])C(O5)C(O)C(O)CO)C(=O)O)C4O)C3NC(=O)C)C(OC6(CC(O)C(\N=C(\C)/O[Na])C(O6)C(O)C(CO)OC7(CC(O)C(\N=C(\C)/O[Na])C(O7)C(O)C(O)CO)C(=O)O)C(=O)O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC

InChI

InChI=1S/C95H165N5O47.3Na/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(118)100-52(53(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-134-87-75(125)74(124)78(62(45-106)137-87)139-89-77(127)85(147-95(92(132)133)39-56(115)67(98-50(5)110)83(145-95)73(123)61(44-105)142-93(90(128)129)37-54(113)65(96-48(3)108)81(143-93)69(119)57(116)40-101)79(63(46-107)138-89)140-86-68(99-51(6)111)80(71(121)59(42-103)135-86)141-88-76(126)84(72(122)60(43-104)136-88)146-94(91(130)131)38-55(114)66(97-49(4)109)82(144-94)70(120)58(117)41-102;;;/h33,35,52-63,65-89,101-107,112-117,119-127H,7-32,34,36-47H2,1-6H3,(H,96,108)(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133);;;/q;3*+1/p-3/b35-33+;;;

IUPAC

[(Z)-N-[6-[2-[3-acetamido-2-[4-[2-carboxy-6-[2-[2-carboxy-4-hydroxy-5-[(Z)-1-sodiooxyethylideneamino]-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(Z)-1-sodiooxyethylideneamino]oxan-2-yl]oxy-6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-carboxy-4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]-C-methylcarbonimidoyl]oxysodium

Alternate CAS Number

Gangolioside: 308066-68-4

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat