Complex glycan structure

Cross-references

GlyTouCan : G64468KS

GlyGen : G64468KS

ChEBI : 152875

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Composition

Hex:4 HexNAc:3 dHex:2

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IUPAC

Fuc(a1-2)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[Man(a1-3)]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:a-dman-HEX-1:5
8b:b-dglc-HEX-1:5
9s:n-acetyl
10b:b-dgal-HEX-1:5
11b:a-lgal-HEX-1:5|6:d
12b: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
6:5o(6+1)7d
7:7o(2+1)8d
8:8d(2+1)9n
9:8o(4+1)10d
10:10o(2+1)11d
11:1o(6+1)12d

GWS

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

Glycam

DManpa1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-2DManpa1-6]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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)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)C)O)O)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)NC(=O)C)O)O)O

InCHI key

OHESAONUOZIKMN-GOHBSMRWSA-N

InCHI

InChI=1S/C60H101N3O44/c1-13-28(72)37(81)42(86)55(93-13)91-12-24-48(34(78)25(52(90)95-24)61-15(3)69)102-53-26(62-16(4)70)35(79)46(21(9-67)99-53)103-58-45(89)49(105-57-44(88)39(83)30(74)18(6-64)96-57)33(77)23(101-58)11-92-59-50(40(84)31(75)19(7-65)97-59)106-54-27(63-17(5)71)36(80)47(22(10-68)100-54)104-60-51(41(85)32(76)20(8-66)98-60)107-56-43(87)38(82)29(73)14(2)94-56/h13-14,18-60,64-68,72-90H,6-12H2,1-5H3,(H,61,69)(H,62,70)(H,63,71)/t13-,14-,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-,55+,56-,57+,58-,59-,60-/m0/s1