Mipragoside

Molecular Formula: C₇₆H₁₃₇N₃O₃₁

InChI: InChI=1/C76H137N3O31/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-55(90)79-47(48(87)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)43-100-72-64(97)62(95)66(53(41-83)104-72)106-74-65(98)70(110-76(75(99)101-44(3)4)37-49(88)56(77-45(5)85)69(109-76)58(91)50(89)38-80)67(54(42-84)105-74)107-71-57(78-46(6)86)68(60(93)52(40-82)102-71)108-73-63(96)61(94)59(92)51(39-81)103-73/h33,35,44,47-54,56-74,80-84,87-89,91-98H,7-32,34,36-43H2,1-6H3,(H,77,85)(H,78,86)(H,79,90)/b35-33+/t47-,48+,49+,50+,51+,52+,53+,54+,56-,57+,58+,59-,60-,61-,62+,63+,64+,65+,66+,67-,68+,69-,70+,71-,72+,73-,74-,76+/m0/s1/f/h77-79H

InChIKey: InChIKey=NBMVYETVBIIWFF-YVLYALQRDM
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)OC(C)C)O)O)O)C(C=CCCCCCCCCCCCCC)O

Names:
    Ganglioside agf44
    Mipragoside [INN]
    Mipragoside
    Mipragosido [INN-Spanish]
    Mipragosidum [INN-Latin]
    N-(II(sup 3)-N-Acetylneuraminosylgangliotetraosyl)ceramide, isopropyl ester
    Octadecanamide, N-((1S,2R,3E)-1-(((O-(N-acetyl-1-(1-methylethyl)-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4))-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecenyl)-
    Octadecanamide, N-(1-(((O-(N-acetyl-1-(1-methylethyl)-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4))-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecenyl)-, (R-(R*,S*-(E)))-
    propan-2-yl (2R,4R,5S,6S)-5-acetamido-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-[(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-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
    131129-98-1

Registries:
    PubChem CID 6436169
    PubChem ID 214317