Complex glycan structure

Cross-references

GlyTouCan : G37140SO

GlyGen : G37140SO

ChEBI : 150716

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Composition

Hex:3 HexNAc:7

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IUPAC

GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-4)]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-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
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

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$MONO,Und,0,0,freeEnd

Glycam

DGlcpNAcb1-2[DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-4][DGlcpNAcb1-2[DGlcpNAcb1-4]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)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)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[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)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

BBPHORIYJALPAX-YYGWKOSOSA-N

InCHI

InChI=1S/C74H123N7O51/c1-18(91)75-35-52(108)57(30(13-87)115-65(35)113)125-71-41(81-24(7)97)53(109)58(31(14-88)121-71)128-72-56(112)62(130-74-64(132-70-40(80-23(6)96)51(107)46(102)29(12-86)120-70)55(111)60(33(16-90)123-74)127-67-37(77-20(3)93)48(104)43(99)26(9-83)117-67)61(129-68-38(78-21(4)94)49(105)44(100)27(10-84)118-68)34(124-72)17-114-73-63(131-69-39(79-22(5)95)50(106)45(101)28(11-85)119-69)54(110)59(32(15-89)122-73)126-66-36(76-19(2)92)47(103)42(98)25(8-82)116-66/h25-74,82-90,98-113H,8-17H2,1-7H3,(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)/t25-,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+,71+,72+,73+,74-/m1/s1