Complex glycan structure

Cross-references

GlyTouCan : G81397LO

GlyGen : G81397LO

ChEBI : 154038

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Composition

Hex:4 HexNAc:4

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IUPAC

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

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-4DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)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[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O)O)O)NC(=O)C)O

InCHI key

QMYQGQUHAHZGGB-RCVHMTSZSA-N

InCHI

InChI=1S/C56H94N4O41/c1-13(68)57-25-34(77)43(20(8-64)88-49(25)86)96-51-27(59-15(3)70)36(79)45(22(10-66)92-51)99-55-42(85)47(32(75)24(95-55)12-87-56-48(38(81)31(74)19(7-63)91-56)101-50-26(58-14(2)69)33(76)29(72)17(5-61)89-50)100-54-41(84)39(82)46(23(11-67)94-54)97-52-28(60-16(4)71)35(78)44(21(9-65)93-52)98-53-40(83)37(80)30(73)18(6-62)90-53/h17-56,61-67,72-86H,5-12H2,1-4H3,(H,57,68)(H,58,69)(H,59,70)(H,60,71)/t17-,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+/m1/s1