Core 1 glycan structure

Cross-references

GlyTouCan : G78928PU

GlyGen : G78928PU

ChEBI : 154129

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Composition

Hex:3 HexNAc:3 dHex:2

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IUPAC

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

GWS

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

Glycam

DGalpb1-4[LFucpa1-3]DGlcpNAcb1-3DGalpb1-4[LFucpa1-3]DGlcpNAcb1-3DGalpb1-3DGalpNAca1-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)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)O[C@H]7[C@H]([C@H](O[C@H]([C@@H]7O)O[C@@H]8[C@H]([C@H](O[C@@H]([C@@H]8O)CO)O)NC(=O)C)CO)O)CO)CO)O)NC(=O)C)O)O)O

InCHI key

WVXIPASOYOUTJD-UZLWMMETSA-N

InCHI

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