Complex glycan structure

Cross-references

GlyTouCan : G86102AA

GlyGen : G86102AA

ChEBI : 154489

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Composition

Hex:3 HexNAc:6 dHex:2

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IUPAC

Fuc(a1-3)[GalNAc(b1-4)]GlcNAc(b1-2)Man(a1-3)[GalNAc(b1-4)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:a-lgal-HEX-1:5|6:d
10b:b-dgal-HEX-1:5
11s:n-acetyl
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16s:n-acetyl
17b: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(3+1)9d
9:7o(4+1)10d
10:10d(2+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15d(2+1)16n
16:1o(6+1)17d

GWS

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

Glycam

DGalpNAcb1-4[LFucpa1-3]DGlcpNAcb1-2DManpa1-3[DGalpNAcb1-4DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

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[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)NC(=O)C)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

XCCYQPLRPZBZRB-SFCXTLKMSA-N

InCHI

InChI=1S/C78H130N6O54/c1-18-41(98)53(110)57(114)74(120-18)118-17-34-62(50(107)35(68(117)122-34)79-20(3)92)132-71-38(82-23(6)95)52(109)61(31(14-90)127-71)133-76-59(116)65(47(104)33(130-76)16-119-77-66(55(112)45(102)28(11-87)125-77)137-72-39(83-24(7)96)51(108)60(30(13-89)128-72)131-69-36(80-21(4)93)48(105)43(100)26(9-85)123-69)136-78-67(56(113)46(103)29(12-88)126-78)138-73-40(84-25(8)97)64(135-75-58(115)54(111)42(99)19(2)121-75)63(32(15-91)129-73)134-70-37(81-22(5)94)49(106)44(101)27(10-86)124-70/h18-19,26-78,85-91,98-117H,9-17H2,1-8H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t18-,19-,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+/m0/s1