Complex glycan structure

Cross-references

GlyTouCan : G76478FT

GlyGen : G76478FT

ChEBI : 154298

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Composition

Hex:5 HexNAc:4 dHex:2

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IUPAC

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

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGalpb1-4[LFucpa1-3]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[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

BCUJRAICPAMOMG-CXRNAJDSSA-N

InCHI

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