Complex glycan structure

Cross-references

GlyTouCan : G25140TA

GlyGen : G25140TA

ChEBI : 149077

UniCarb-DB :

• 2211

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Composition

Hex:5 HexNAc:5 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dman-HEX-1:5
6b:a-dman-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
10b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6o(2+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9o(6+2)10d
10:10d(5+1)11n
11:5o(4+1)12d
12:12d(2+1)13n
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:15o(4+1)17d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man((--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@@H]5[C@@H]([C@@H](O[C@@H]([C@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(=O)C)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO)CO)O)CO)O)O)CO)O)O)O)O

InCHI key

MXBGFRHCLRBOTM-ISWVCWIWSA-N

InCHI

InChI=1S/C81H134N6O59/c1-19(97)82-37-25(103)7-81(80(124)125,146-66(37)43(105)26(104)8-88)127-18-35-48(110)55(117)59(121)76(136-35)140-63-33(15-95)135-74(42(53(63)115)87-24(6)102)145-69-57(119)47(109)30(12-92)132-79(69)143-67-60(122)77(141-64-34(16-96)133-72(40(51(64)113)85-22(4)100)138-61-31(13-93)128-70(123)38(50(61)112)83-20(2)98)137-36(65(67)142-71-39(84-21(3)99)49(111)44(106)27(9-89)129-71)17-126-78-68(56(118)46(108)29(11-91)131-78)144-73-41(86-23(5)101)52(114)62(32(14-94)134-73)139-75-58(120)54(116)45(107)28(10-90)130-75/h25-79,88-96,103-123H,7-18H2,1-6H3,(H,82,97)(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,87,102)(H,124,125)/t25-,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+,53+,54-,55-,56-,57-,58+,59+,60-,61+,62+,63+,64+,65+,66+,67+,68-,69-,70+,71-,72-,73-,74-,75-,76-,77-,78-,79+,81+/m0/s1