A ganglioside ac-o-8-gt3

Structural Information

Molecular Formula

C₅₁H₈₂N₄O₃₈

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)OC(=O)C)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)OC[C@@H](CO)NC=O)CO)CO)O)O

InChI

InChI=1S/C51H82N4O38/c1-16(63)53-29-21(67)5-49(46(77)78,90-40(29)32(70)24(9-57)84-19(4)66)88-26(11-59)34(72)41-30(54-17(2)64)22(68)6-50(91-41,47(79)80)89-27(12-60)35(73)42-31(55-18(3)65)23(69)7-51(92-42,48(81)82)93-43-33(71)25(10-58)85-45(38(43)76)87-39-28(13-61)86-44(37(75)36(39)74)83-14-20(8-56)52-15-62/h15,20-45,56-61,67-76H,5-14H2,1-4H3,(H,52,62)(H,53,63)(H,54,64)(H,55,65)(H,77,78)(H,79,80)(H,81,82)/t20-,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+,49-,50-,51+/m1/s1

InChIKey

UENVSGWIUORQKO-KYUZWLEOSA-N

Compound name

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

Related CIDs

• CID 171364911