Complex glycan structure

Cross-references

GlyTouCan : G27188NC

GlyGen : G27188NC

ChEBI : 148884

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Composition

Hex:3 HexNAc:3 dHex:2

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IUPAC

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

GWS

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

Glycam

LFucpa1-3DGlcpNAcb1-2DManpa1-3[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)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)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

XYSWQZYGXUGLFS-JHMMRSBASA-N

InCHI

InChI=1S/C54H91N3O39/c1-12-26(65)34(73)38(77)50(84-12)83-11-22-43(32(71)23(47(81)86-22)55-14(3)62)92-48-24(56-15(4)63)33(72)42(20(9-61)90-48)93-53-41(80)45(31(70)21(91-53)10-82-51-39(78)36(75)28(67)17(6-58)88-51)95-54-46(37(76)29(68)18(7-59)89-54)96-49-25(57-16(5)64)44(30(69)19(8-60)87-49)94-52-40(79)35(74)27(66)13(2)85-52/h12-13,17-54,58-61,65-81H,6-11H2,1-5H3,(H,55,62)(H,56,63)(H,57,64)/t12-,13-,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-,54+/m0/s1