Core 2 glycan structure

Cross-references

GlyTouCan : G87574LM

GlyGen : G87574LM

ChEBI : 154884

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Composition

Hex:3 HexNAc:4 dHex:1

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IUPAC

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

GWS

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

Glycam

DGalpNAca1-3[LFucpa1-2]DGalpb1-3DGlcpNAcb1-3DGalpb1-3[DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO[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)O)NC(=O)C)O)NC(=O)C)CO)O)NC(=O)C)CO)O)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)NC(=O)C)O)O)O

InCHI key

YPNFVHDRGWDCFP-ULYMBYEASA-N

InCHI

InChI=1S/C56H94N4O40/c1-13-29(71)38(80)40(82)53(87-13)100-48-47(99-51-25(57-14(2)67)36(78)30(72)18(6-61)89-51)34(76)22(10-65)93-56(48)97-45-28(60-17(5)70)52(90-20(8-63)32(45)74)98-46-33(75)21(9-64)92-55(42(46)84)96-44-27(59-16(4)69)49(85)88-24(35(44)77)12-86-50-26(58-15(3)68)37(79)43(23(11-66)94-50)95-54-41(83)39(81)31(73)19(7-62)91-54/h13,18-56,61-66,71-85H,6-12H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)/t13-,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-/m0/s1