Galnac-gm1b

Structural Information

Molecular Formula

C₆₅H₁₁₂N₄O₃₆

SMILES

CCCCCCCCCCCCC/C=C/[C@H]([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)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O)C)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)O)O)O)NC(=O)C)O

InChI

InChI=1S/C65H112N4O36/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(80)32(66-28(2)76)27-94-61-50(89)48(87)54(38(24-73)97-61)101-62-51(90)49(88)53(39(25-74)98-62)100-60-43(69-31(5)79)56(46(85)37(23-72)96-60)103-63-52(91)58(55(40(26-75)99-63)102-59-42(68-30(4)78)47(86)45(84)36(22-71)95-59)105-65(64(92)93)20-34(81)41(67-29(3)77)57(104-65)44(83)35(82)21-70/h18-19,32-63,70-75,80-91H,6-17,20-27H2,1-5H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,92,93)/b19-18+/t32-,33+,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53-,54+,55-,56+,57+,58+,59-,60-,61+,62-,63-,65-/m0/s1

InChIKey

CRFZFPHVARIXKI-SAMIXPOXSA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Related CIDs

• CID 73427345