Chebi:141806

Structural Information

Molecular Formula

C₆₄H₁₁₀N₄O₃₆

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)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)O)O)NC=O)O

InChI

InChI=1S/C64H110N4O36/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(79)31(65-27-75)26-93-60-49(88)47(86)53(37(23-72)96-60)100-62-51(90)57(104-64(63(91)92)19-33(80)40(66-28(2)76)56(103-64)43(82)34(81)20-69)54(39(25-74)98-62)101-59-42(68-30(4)78)55(45(84)36(22-71)95-59)102-61-50(89)48(87)52(38(24-73)97-61)99-58-41(67-29(3)77)46(85)44(83)35(21-70)94-58/h17-18,27,31-62,69-74,79-90H,5-16,19-26H2,1-4H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,91,92)/b18-17+/t31-,32+,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-,64-/m0/s1

InChIKey

QXNVCVFRMGSJNE-JEAOHVIBSA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-formamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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 172429265