Complex glycan structure

Cross-references

GlyTouCan : G52187WF

GlyGen : G52187WF

ChEBI : 151616

UniCarb-DB :

• 556
• 580
• 604

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Composition

Hex:3 HexNAc:8

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IUPAC

GlcNAc(b1-2)[GlcNAc(b1-4)][GlcNAc(b1-6)]Man(a1-6)[GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)][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-dglc-HEX-1:5
10s:n-acetyl
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dglc-HEX-1:5
19s: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
6:6o(2+1)7d
7:7d(2+1)8n
8:6o(4+1)9d
9:9d(2+1)10n
10:5o(4+1)11d
11:11d(2+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:13o(4+1)16d
16:16d(2+1)17n
17:13o(6+1)18d
18:18d(2+1)19n

GWS

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

Glycam

DGlcpNAcb1-2[DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-4][DGlcpNAcb1-2[DGlcpNAcb1-4][DGlcpNAcb1-6]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)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)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)NC(=O)C)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)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

WKFVZBWZSZMEFW-CVVDBDTASA-N

InCHI

InChI=1S/C82H136N8O56/c1-20(100)83-39-59(120)64(34(15-97)128-72(39)125)139-79-46(90-27(8)107)60(121)65(35(16-98)135-79)142-80-63(124)69(144-82-71(146-78-45(89-26(7)106)58(119)52(113)33(14-96)134-78)61(122)66(36(17-99)136-82)140-74-41(85-22(3)102)54(115)48(109)29(10-92)130-74)68(143-76-43(87-24(5)104)56(117)50(111)31(12-94)132-76)38(137-80)19-127-81-70(145-77-44(88-25(6)105)57(118)51(112)32(13-95)133-77)62(123)67(141-75-42(86-23(4)103)55(116)49(110)30(11-93)131-75)37(138-81)18-126-73-40(84-21(2)101)53(114)47(108)28(9-91)129-73/h28-82,91-99,108-125H,9-19H2,1-8H3,(H,83,100)(H,84,101)(H,85,102)(H,86,103)(H,87,104)(H,88,105)(H,89,106)(H,90,107)/t28-,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+,71+,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,82-/m1/s1