Chebi:142291

Structural Information

Molecular Formula

C₆₈H₁₁₇N₃O₄₀

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)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)O[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC=O)O

InChI

InChI=1S/C68H117N3O40/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(81)31(69-27-78)26-98-62-52(94)49(91)54(38(24-76)103-62)105-65-53(95)59(111-68(67(96)97)19-33(82)40(70-29(3)79)57(110-68)43(85)34(83)20-72)55(39(25-77)104-65)106-61-41(71-30(4)80)56(45(87)36(22-74)100-61)107-66-60(109-63-50(92)47(89)42(84)28(2)99-63)58(46(88)37(23-75)102-66)108-64-51(93)48(90)44(86)35(21-73)101-64/h17-18,27-28,31-66,72-77,81-95H,5-16,19-26H2,1-4H3,(H,69,78)(H,70,79)(H,71,80)(H,96,97)/b18-17+/t28-,31-,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+,63-,64+,65-,66-,68-/m0/s1

InChIKey

IEGSXQHSWLOMLC-JQRBMOKWSA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-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 172429277