Complex glycan structure

Cross-references

GlyTouCan : G96370EB

GlyGen : G96370EB

ChEBI : 155637

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Composition

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

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IUPAC

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

GWS

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

Glycam

DManpa1-3[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)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)NC(=O)C)CO)O)NC(=O)C)O)O)O

InCHI key

JFUINVFHILDTBC-BGGRABQSSA-N

InCHI

InChI=1S/C53H89N3O39/c1-12-26(66)34(74)38(78)50(83-12)92-42-25(56-15(4)64)46(80)84-21(9-61)41(42)91-48-24(55-14(3)63)33(73)40(20(8-60)88-48)90-53-45(95-49-37(77)27(67)16(65)10-81-49)43(93-51-39(79)35(75)29(69)18(6-58)86-51)31(71)22(89-53)11-82-52-44(36(76)30(70)19(7-59)87-52)94-47-23(54-13(2)62)32(72)28(68)17(5-57)85-47/h12,16-53,57-61,65-80H,5-11H2,1-4H3,(H,54,62)(H,55,63)(H,56,64)/t12-,16+,17+,18+,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-/m0/s1