Complex glycan structure

Cross-references

GlyTouCan : G82680EC

GlyGen : G82680EC

ChEBI : 154406

UniCarb-DB :

• 2230
• 2475
• 2492

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Composition

Hex:3 HexNAc:4 dHex:1

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man((--3a1Man)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DManpa1-3[DGlcpNAcb1-4][DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[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)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)O)O)O)O)NC(=O)C)O)O)O

InCHI key

QRSMSITXXWKGHZ-LDACFBLXSA-N

InCHI

InChI=1S/C56H94N4O40/c1-13-29(70)38(79)41(82)53(88-13)86-11-23-45(36(77)25(49(85)89-23)57-14(2)66)96-52-28(60-17(5)69)37(78)44(22(10-65)94-52)97-55-43(84)47(99-54-42(83)39(80)32(73)20(8-63)92-54)46(98-50-26(58-15(3)67)34(75)30(71)18(6-61)90-50)24(95-55)12-87-56-48(40(81)33(74)21(9-64)93-56)100-51-27(59-16(4)68)35(76)31(72)19(7-62)91-51/h13,18-56,61-65,70-85H,6-12H2,1-5H3,(H,57,66)(H,58,67)(H,59,68)(H,60,69)/t13-,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-,43-,44+,45+,46+,47+,48-,49+,50-,51-,52-,53+,54+,55-,56-/m0/s1