No-core glycan structure

Cross-references

GlyTouCan : G56960KY

GlyGen : G56960KY

ChEBI : 151550

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Composition

Hex:5 HexNAc:2

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man--6a1Man(--3a1Man--2a1Gal,f)--6a1Man$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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@@H]([C@H]([C@@H](O7)[C@@H](CO)O)O)O)O)O)O)O)O)NC(=O)C)O

InCHI key

RJRTUSNTTWFQBB-KIAXRUFISA-N

InCHI

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