Complex glycan structure

Cross-references

GlyTouCan : G39602UU

GlyGen : G39602UU

ChEBI : 150606

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Composition

Hex:4 HexNAc:3

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IUPAC

Gal(b1-4)GlcNAc(b1-4)Man(a1-3)[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
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

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-4DManpa1-3[DManpa1-6]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)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)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)O)NC(=O)C)O)O)O)O)NC(=O)C)O

InCHI key

IUGIHWJKVYPXQG-WQFNVXLTSA-N

InCHI

InChI=1S/C48H81N3O36/c1-11(58)49-21-27(64)37(16(6-54)76-42(21)74)83-43-22(50-12(2)59)29(66)39(18(8-56)79-43)86-48-36(73)41(26(63)20(82-48)10-75-45-33(70)30(67)24(61)14(4-52)77-45)87-47-35(72)32(69)40(19(9-57)81-47)84-44-23(51-13(3)60)28(65)38(17(7-55)80-44)85-46-34(71)31(68)25(62)15(5-53)78-46/h14-48,52-57,61-74H,4-10H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)/t14-,15-,16-,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+/m1/s1