Complex glycan structure

Cross-references

GlyTouCan : G45187EI

GlyGen : G45187EI

ChEBI : 150975

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Composition

Hex:5 HexNAc:5 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[GlcNAc(b1-2)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:b-dgal-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16b: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
8:5o(6+1)9d
9:9o(2+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:9o(6+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:1o(6+1)16d

GWS

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

Glycam

DGlcpNAcb1-2DManpa1-3[DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-6]DManpa1-6]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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)NC(=O)C)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)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)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)O)O

InCHI key

CHTDTOGIZVBBEK-WTMRDWIQSA-N

InCHI

InChI=1S/C76H127N5O55/c1-17-38(94)50(106)55(111)71(119-17)117-16-32-62(46(102)33(66(115)120-32)77-18(2)89)130-69-36(80-21(5)92)48(104)61(29(13-88)126-69)133-74-58(114)63(134-76-65(53(109)42(98)26(10-85)124-76)136-68-34(78-19(3)90)45(101)39(95)23(7-82)121-68)44(100)31(128-74)15-118-75-64(135-70-37(81-22(6)93)49(105)60(28(12-87)127-70)132-73-57(113)52(108)41(97)25(9-84)123-73)54(110)43(99)30(129-75)14-116-67-35(79-20(4)91)47(103)59(27(11-86)125-67)131-72-56(112)51(107)40(96)24(8-83)122-72/h17,23-76,82-88,94-115H,7-16H2,1-6H3,(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,93)/t17-,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-,75-,76+/m0/s1