Complex glycan structure

Cross-references

GlyTouCan : G45264AM

GlyGen : G45264AM

ChEBI : 150985

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Composition

Hex:3 HexNAc:5 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-6)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]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
10s:n-acetyl
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:a-lgal-HEX-1:5|6:d
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
9:9d(2+1)10n
10:9o(6+2)11d
11:11d(5+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:1o(6+1)16d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-GalNAc,p--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O[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[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

XQXIGBWXVUNHCD-VDMJROBISA-N

InCHI

InChI=1S/C75H124N6O53/c1-18-41(96)53(108)56(111)70(119-18)116-16-34-60(50(105)36(65(113)120-34)77-20(3)89)129-68-39(80-23(6)92)52(107)59(31(14-87)124-68)130-71-57(112)62(47(102)32(127-71)15-117-72-63(54(109)44(99)28(11-84)122-72)132-66-37(78-21(4)90)48(103)43(98)27(10-83)121-66)131-73-64(55(110)45(100)29(12-85)123-73)133-69-40(81-24(7)93)51(106)58(30(13-86)125-69)128-67-38(79-22(5)91)49(104)46(101)33(126-67)17-118-75(74(114)115)8-25(94)35(76-19(2)88)61(134-75)42(97)26(95)9-82/h18,25-73,82-87,94-113H,8-17H2,1-7H3,(H,76,88)(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,93)(H,114,115)/t18-,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+,53+,54-,55-,56-,57-,58+,59+,60+,61+,62-,63-,64-,65+,66-,67-,68-,69-,70+,71-,72-,73+,75+/m0/s1