Complex glycan structure

Cross-references

GlyTouCan : G52934AK

GlyGen : G52934AK

ChEBI : 151684

UniCarb-DB :

• 2517

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Composition

Hex:5 HexNAc:5

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IUPAC

Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]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:b-dglc-HEX-1:5
11s:n-acetyl
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b: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
6:6o(2+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:5o(4+1)10d
10:10d(2+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-4][DGalpb1-4DGlcpNAcb1-2DManpa1-6]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[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[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

DFLFAIOTGUTBLR-NFDIEHGJSA-N

InCHI

InChI=1S/C70H117N5O51/c1-16(85)71-31-42(96)53(26(11-81)109-61(31)107)119-63-33(73-18(3)87)43(97)56(29(14-84)115-63)122-68-52(106)58(124-70-60(49(103)40(94)25(10-80)114-70)126-65-35(75-20(5)89)45(99)55(28(13-83)117-65)121-67-51(105)47(101)38(92)23(8-78)112-67)57(123-62-32(72-17(2)86)41(95)36(90)21(6-76)110-62)30(118-68)15-108-69-59(48(102)39(93)24(9-79)113-69)125-64-34(74-19(4)88)44(98)54(27(12-82)116-64)120-66-50(104)46(100)37(91)22(7-77)111-66/h21-70,76-84,90-107H,6-15H2,1-5H3,(H,71,85)(H,72,86)(H,73,87)(H,74,88)(H,75,89)/t21-,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+,63+,64+,65+,66+,67+,68+,69+,70-/m1/s1