Complex glycan structure

Cross-references

GlyTouCan : G90175OT

GlyGen : G90175OT

ChEBI : 154763

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Composition

Hex:3 HexNAc:4 dHex:2

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IUPAC

Fuc(a1-3)[GalNAc(b1-4)]GlcNAc(b1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]GlcNAc

GlycoCT

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

GWS

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

Glycam

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

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[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)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)NC(=O)C)O)O)NC(=O)C)CO)O)NC(=O)C)O)O)O

InCHI key

OPCKPYKCFDEMSV-CGNXGSPYSA-N

InCHI

InChI=1S/C62H104N4O44/c1-14-31(77)39(85)44(90)59(95-14)107-50-29(65-18(5)75)54(93)97-24(11-71)48(50)105-56-28(64-17(4)74)38(84)47(23(10-70)101-56)104-61-46(92)52(36(82)26(103-61)13-94-58-43(89)41(87)34(80)21(8-68)99-58)109-62-53(42(88)35(81)22(9-69)100-62)110-57-30(66-19(6)76)51(108-60-45(91)40(86)32(78)15(2)96-60)49(25(12-72)102-57)106-55-27(63-16(3)73)37(83)33(79)20(7-67)98-55/h14-15,20-62,67-72,77-93H,7-13H2,1-6H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t14-,15-,20+,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+/m0/s1