Chebi:197446

Structural Information

Molecular Formula

C₆₄H₁₁₀N₄O₃₇

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)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)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)CO)O)C(=O)O)O)O)NC(=O)C)O)O)O)NC=O)O

InChI

InChI=1S/C64H110N4O37/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(79)30(65-27-76)26-94-60-49(89)48(88)53(37(23-73)98-60)101-61-50(90)56(45(85)35(21-71)96-61)103-59-42(67-29(3)78)47(87)52(36(22-72)97-59)100-62-51(91)57(54(38(24-74)99-62)102-58-41(66-28(2)77)46(86)44(84)34(20-70)95-58)105-64(63(92)93)18-32(80)40(68-39(82)25-75)55(104-64)43(83)33(81)19-69/h16-17,27,30-38,40-62,69-75,79-81,83-91H,4-15,18-26H2,1-3H3,(H,65,76)(H,66,77)(H,67,78)(H,68,82)(H,92,93)/b17-16+/t30-,31+,32-,33+,34+,35+,36+,37+,38+,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

OXSSWAGUMZVRFD-NRABAETNSA-N

Compound name

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

Related CIDs

• CID 168680083