Complex glycan structure

Cross-references

GlyTouCan : G12802HY

GlyGen : G12802HY

ChEBI : 147952

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Composition

Hex:5 HexNAc:2

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IUPAC

Galf(b1-2)[Man(a1-3)]Man(a1-6)[Man(a1-3)]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:a-dman-HEX-1:5
8b:b-dgal-HEX-1:4
9b: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
6:5o(6+1)7d
7:7o(2+1)8d
8:7o(3+1)9d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man)--6a1Man(--2b1Gal,f)--3a1Man$MONO,Und,0,0,freeEnd

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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](O6)[C@@H](CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)NC(=O)C)O

InCHI key

JHWCKDMCLYBYMK-DRNJDDOQSA-N

InCHI

InChI=1S/C46H78N2O36/c1-10(55)47-19-25(62)35(16(7-53)73-40(19)71)80-41-20(48-11(2)56)26(63)36(17(8-54)77-41)81-45-33(70)37(82-42-30(67)27(64)21(58)13(4-50)74-42)24(61)18(78-45)9-72-46-39(84-44-32(69)29(66)34(79-44)12(57)3-49)38(23(60)15(6-52)76-46)83-43-31(68)28(65)22(59)14(5-51)75-43/h12-46,49-54,57-71H,3-9H2,1-2H3,(H,47,55)(H,48,56)/t12-,13-,14-,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+/m1/s1