Complex glycan structure

Cross-references

GlyTouCan : G89117DH

GlyGen : G89117DH

ChEBI : 154537

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Composition

Hex:3 HexNAc:3 dHex:2

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IUPAC

GlcNAc(b1-2)Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)][Fuc(a1-6)]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:a-dman-HEX-1:5
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:a-lgal-HEX-1:5|6:d
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
7:6o(6+1)8d
8:8o(2+1)9d
9:9d(2+1)10n
10:1o(6+1)11d

GWS

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

Glycam

DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-3][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[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[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)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)O)O)NC(=O)C)O)O)O

InCHI key

PXRKVAVXLZDLTM-JPAFAPSXSA-N

InCHI

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