Q32038955

Structural Information

Molecular Formula

C₅₆H₉₇N₃O₃₁

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)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)O)O)O)NC=O)O

InChI

InChI=1S/C56H97N3O31/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(68)28(57-25-65)24-81-52-43(76)41(74)47(34(22-63)84-52)87-53-44(77)42(75)46(35(23-64)85-53)86-51-37(59-27(3)67)48(39(72)32(20-61)82-51)88-54-45(78)50(40(73)33(21-62)83-54)90-56(55(79)80)18-30(69)36(58-26(2)66)49(89-56)38(71)31(70)19-60/h16-17,25,28-54,60-64,68-78H,4-15,18-24H2,1-3H3,(H,57,65)(H,58,66)(H,59,67)(H,79,80)/b17-16+/t28-,29+,30-,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,49+,50-,51-,52+,53-,54-,56-/m0/s1

InChIKey

DUWYMBJQNRVJSX-RWNYHCFISA-N

Compound name

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

Related CIDs

• CID 53239726