Complex glycan structure

Cross-references

GlyTouCan : G47606XQ

GlyGen : G47606XQ

ChEBI : 151373

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Composition

Hex:5 HexNAc:4 dHex:2

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-Gal,p)--6a1Man--2b1D-GlcNAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpa1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-2DManpa1-3[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)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)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[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

GHGUURFGRLTBMG-FTWJQQFQSA-N

InCHI

InChI=1S/C74H124N4O54/c1-16-35(90)47(102)52(107)68(114-16)112-15-30-58(44(99)31(64(111)116-30)75-18(3)86)125-66-33(77-20(5)88)45(100)56(27(12-84)122-66)126-71-55(110)59(42(97)29(124-71)14-113-72-61(50(105)39(94)24(9-81)119-72)130-65-32(76-19(4)87)43(98)37(92)22(7-79)117-65)128-73-62(51(106)40(95)25(10-82)120-73)131-67-34(78-21(6)89)46(101)57(28(13-85)123-67)127-74-63(132-69-53(108)48(103)36(91)17(2)115-69)60(41(96)26(11-83)121-74)129-70-54(109)49(104)38(93)23(8-80)118-70/h16-17,22-74,79-85,90-111H,7-15H2,1-6H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89)/t16-,17-,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+,71-,72-,73+,74-/m0/s1