Complex glycan structure

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No image
N-Linked / Complex (avg mass : 1595.4816)

3D structure from GLYCAM

Cross-references

GlyTouCan : G99603GB

GlyGen : G99603GB

ChEBI : 155731


Composition

Hex:3 HexNAc:4 dHex:1 Pent:1


IUPAC

GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)][Xyl(b1-2)]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:b-dxyl-PEN-1:5
8b:a-dman-HEX-1:5
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:a-dman-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
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(2+1)7d
7:6o(3+1)8d
8:8o(2+1)9d
9:9d(2+1)10n
10:6o(6+1)11d
11:11o(2+1)12d
12:12d(2+1)13n

GWS

freeEnd--?b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-GlcNAc,p--4b1D-Man,p((--2b1D-Xyl,p)--3a1D-Man,p--2b1D-GlcNAc,p)--6a1D-Man,p--2b1D-GlcNAc,p$MONO,Und,0,0,freeEnd

Glycam

DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6][DXylpb1-2]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[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)O)NC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)NC(=O)C)CO)O)NC(=O)C)O)O)O

InCHI key

AVKOSBZBWSUEOK-AUJHOTQJSA-N

InCHI

InChI=1S/C61H102N4O44/c1-14-31(77)41(87)45(91)58(95-14)105-48-30(65-18(5)75)53(92)96-25(11-71)47(48)104-56-29(64-17(4)74)40(86)46(24(10-70)101-56)103-61-52(109-57-44(90)32(78)19(76)12-93-57)49(106-60-51(43(89)36(82)23(9-69)100-60)108-55-28(63-16(3)73)39(85)34(80)21(7-67)98-55)37(83)26(102-61)13-94-59-50(42(88)35(81)22(8-68)99-59)107-54-27(62-15(2)72)38(84)33(79)20(6-66)97-54/h14,19-61,66-71,76-92H,6-13H2,1-5H3,(H,62,72)(H,63,73)(H,64,74)(H,65,75)/t14-,19+,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-/m0/s1