Complex glycan structure

Cross-references

GlyTouCan : G80393PG

GlyGen : G80393PG

ChEBI : 153790

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Composition

Hex:3 HexNAc:5 dHex:1

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IUPAC

GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)[GlcNAc(b1-2)Man(a1-3)]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-dman-HEX-1:5
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b: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
8:5o(6+1)9d
9:9o(2+1)10d
10:10d(2+1)11n
11:9o(6+1)12d
12:12d(2+1)13n
13:1o(6+1)14d

GWS

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

Glycam

DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2[DGlcpNAcb1-6]DManpa1-6]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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)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)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

FCQASDHZFMSUBM-VAADDPKZSA-N

InCHI

InChI=1S/C64H107N5O45/c1-15-34(80)46(92)49(95)61(101-15)99-14-28-52(44(90)29(56(97)102-28)65-16(2)75)110-60-33(69-20(6)79)45(91)51(25(11-74)107-60)111-62-50(96)53(112-64-55(47(93)38(84)24(10-73)106-64)114-59-32(68-19(5)78)43(89)37(83)23(9-72)105-59)40(86)27(108-62)13-100-63-54(113-58-31(67-18(4)77)42(88)36(82)22(8-71)104-58)48(94)39(85)26(109-63)12-98-57-30(66-17(3)76)41(87)35(81)21(7-70)103-57/h15,21-64,70-74,80-97H,7-14H2,1-6H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,79)/t15-,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+,53-,54-,55-,56+,57+,58-,59-,60-,61+,62-,63-,64+/m0/s1