Chebi:230541

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[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)OC(=O)C)NC(=O)C)O)C(=O)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/C69H116N4O40/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(85)34(70-29-80)28-101-63-51(94)50(93)55(42(26-78)105-63)107-65-53(96)61(113-68(66(97)98)20-36(86)44(71-30(2)81)58(110-68)47(90)38(88)22-74)56(43(27-79)106-65)108-62-46(73-32(4)83)57(48(91)40(24-76)103-62)109-64-52(95)60(49(92)41(25-77)104-64)112-69(67(99)100)21-37(87)45(72-31(3)82)59(111-69)54(39(89)23-75)102-33(5)84/h18-19,29,34-65,74-79,85-96H,6-17,20-28H2,1-5H3,(H,70,80)(H,71,81)(H,72,82)(H,73,83)(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

VGGZYDBIQIYCNC-YNDVLDBRSA-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,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1-acetyloxy-2,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-3,5-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 171364914