Difucosyllactohexaose

Structural Information

Molecular Formula

C₅₂H₈₈N₂O₃₉

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OC[C@@H]3[C@@H](C([C@H]([C@@H](O3)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O[C@H]4[C@@H](C(C([C@H](O4)CO)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)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)O

InChI

InChI=1S/C52H88N2O39/c1-12-25(65)31(71)35(75)48(81-12)91-43-23(53-14(3)61)46(85-20(9-59)41(43)89-50-37(77)33(73)28(68)18(7-57)83-50)80-11-22-30(70)45(39(79)52(87-22)88-40(17(64)6-56)27(67)16(63)5-55)93-47-24(54-15(4)62)44(92-49-36(76)32(72)26(66)13(2)82-49)42(21(10-60)86-47)90-51-38(78)34(74)29(69)19(8-58)84-51/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42?,43+,44?,45?,46?,47-,48-,49-,50-,51-,52-/m0/s1

InChIKey

XOHQYIKZIFWWAG-MPHKLDOWSA-N

Compound name

N-[(3R,4R,5S,6R)-2-[[(2R,3S,5R,6S)-4-[(2S,3R,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

Related CIDs

• CID 53477875