Chebi:231269

Structural Information

Molecular Formula

C₆₉H₁₁₆N₄O₄₀

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

InChI

InChI=1S/C69H116N4O40/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(84)34(70-29-79)27-102-63-54(95)52(93)56(42(25-77)105-63)107-65-55(96)61(57(43(26-78)106-65)108-62-46(73-32(4)82)58(49(90)40(23-75)103-62)109-64-53(94)51(92)48(89)39(22-74)104-64)113-69(67(99)100)21-37(86)45(72-31(3)81)60(112-69)50(91)41(24-76)110-68(66(97)98)20-36(85)44(71-30(2)80)59(111-68)47(88)38(87)28-101-33(5)83/h18-19,29,34-65,74-78,84-96H,6-17,20-28H2,1-5H3,(H,70,79)(H,71,80)(H,72,81)(H,73,82)(H,97,98)(H,99,100)/b19-18+/t34-,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-,68+,69-/m0/s1

InChIKey

ZOYPWYLAZNXGJG-VXCVBRNWSA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-hydroxyoxane-2-carboxylic acid

Related CIDs

• CID 171364945