Complex glycan structure

Cross-references

GlyTouCan : G03216SJ

GlyGen : G03216SJ

ChEBI : 146513

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Composition

Hex:5 HexNAc:4

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IUPAC

Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)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
10b:b-dgal-HEX-1:5
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-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
8:8d(2+1)9n
9:8o(4+1)10d
10:7o(6+1)11d
11:11d(2+1)12n
12:11o(4+1)13d

GWS

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

Glycam

DManpa1-3[DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-6]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[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)O)O)O)NC(=O)C)O)O)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[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)NC(=O)C)O

InCHI key

RIRCDPWJBCYFES-FJAHITPASA-N

InCHI

InChI=1S/C62H104N4O46/c1-14(74)63-27-36(83)48(21(8-70)98-54(27)95)107-56-29(65-16(3)76)38(85)51(24(11-73)103-56)110-61-47(94)52(111-60-46(93)42(89)33(80)20(7-69)101-60)35(82)26(105-61)13-97-62-53(112-57-30(66-17(4)77)39(86)50(23(10-72)104-57)109-59-45(92)41(88)32(79)19(6-68)100-59)43(90)34(81)25(106-62)12-96-55-28(64-15(2)75)37(84)49(22(9-71)102-55)108-58-44(91)40(87)31(78)18(5-67)99-58/h18-62,67-73,78-95H,5-13H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)/t18-,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+,57+,58+,59+,60-,61+,62+/m1/s1