Complex glycan structure

Cross-references

GlyTouCan : G85041WE

GlyGen : G85041WE

ChEBI : 155030

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Composition

Hex:3 HexNAc:3

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IUPAC

GlcNAc(b1-6)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-dglc-HEX-1:5
9s: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
6:5o(6+1)7d
7:7o(6+1)8d
8:8d(2+1)9n

GWS

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

Glycam

DManpa1-3[DGlcpNAcb1-6DManpa1-6]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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)NC(=O)C)O

InCHI key

YMMXWAHGBABOKB-UHSRXVFUSA-N

InCHI

InChI=1S/C42H71N3O31/c1-10(50)43-19-27(58)34(15(6-48)68-37(19)65)74-39-21(45-12(3)52)28(59)35(16(7-49)71-39)75-42-33(64)36(76-41-32(63)29(60)23(54)14(5-47)70-41)25(56)18(73-42)9-67-40-31(62)30(61)24(55)17(72-40)8-66-38-20(44-11(2)51)26(57)22(53)13(4-46)69-38/h13-42,46-49,53-65H,4-9H2,1-3H3,(H,43,50)(H,44,51)(H,45,52)/t13-,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+/m1/s1