Core 1 glycan structure

Cross-references

GlyTouCan : G93636BY

GlyGen : G93636BY

ChEBI : 155624

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Composition

Hex:3 HexNAc:3 dHex:3

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IUPAC

Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:a-lgal-HEX-1:5|6:d
7b:b-dgal-HEX-1:5
8b:a-lgal-HEX-1:5|6:d
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
12b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(3+1)6d
6:4o(4+1)7d
7:7o(2+1)8d
8:3o(6+1)9d
9:9d(2+1)10n
10:9o(4+1)11d
11:11o(2+1)12d

GWS

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

Glycam

LFucpa1-2DGalpb1-4[LFucpa1-3]DGlcpNAcb1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-6]DGalpb1-3DGalpNAca1-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)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO)O)NC(=O)C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O

InCHI key

RDVKPCFVICBGGH-NTSFWDPQSA-N

InCHI

InChI=1S/C60H101N3O43/c1-13-28(72)36(80)41(85)55(91-13)103-48-27(63-18(6)71)54(98-23(11-68)46(48)101-60-51(40(84)32(76)20(8-65)96-60)106-57-43(87)38(82)30(74)15(3)93-57)104-49-34(78)24(99-58(44(49)88)102-47-26(62-17(5)70)52(89)94-21(9-66)33(47)77)12-90-53-25(61-16(4)69)35(79)45(22(10-67)97-53)100-59-50(39(83)31(75)19(7-64)95-59)105-56-42(86)37(81)29(73)14(2)92-56/h13-15,19-60,64-68,72-89H,7-12H2,1-6H3,(H,61,69)(H,62,70)(H,63,71)/t13-,14-,15-,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