Complex glycan structure

Cross-references

GlyTouCan : G36523TZ

GlyGen : G36523TZ

ChEBI : 150559

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Composition

Hex:6 HexNAc:5 dHex:1

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]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-dgal-HEX-1:5
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:a-lgal-HEX-1:5|6:d
13b:b-dgal-HEX-1:5
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
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
9:6o(4+1)10d
10:10d(2+1)11n
11:10o(3+1)12d
12:10o(4+1)13d
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:15o(4+1)17d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2[DGalpb1-4[LFucpa1-3]DGlcpNAcb1-4]DManpa1-3[DGalpb1-4DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@@H]4[C@H](O[C@@H]([C@H]([C@H]4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O[C@H]7[C@@H]([C@H](O[C@H]([C@H]7O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)NC(=O)C)O[C@@H]9[C@H](O[C@H]([C@@H]([C@H]9O)NC(=O)C)O)CO)CO)CO[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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)CO)NC(=O)C)O)O)O

InCHI key

RNPYQSYYVDVNRJ-WGLNWKGRSA-N

InCHI

InChI=1S/C82H137N5O60/c1-18-40(103)50(113)55(118)76(126-18)144-67-39(87-23(6)102)75(135-33(16-97)66(67)143-79-58(121)53(116)43(106)26(9-90)130-79)139-65-32(15-96)136-82(70(59(65)122)147-74-38(86-22(5)101)49(112)63(30(13-94)134-74)141-78-57(120)52(115)42(105)25(8-89)129-78)145-68-45(108)34(137-80(60(68)123)142-64-31(14-95)132-72(36(47(64)110)84-20(3)99)138-61-28(11-92)127-71(124)35(46(61)109)83-19(2)98)17-125-81-69(54(117)44(107)27(10-91)131-81)146-73-37(85-21(4)100)48(111)62(29(12-93)133-73)140-77-56(119)51(114)41(104)24(7-88)128-77/h18,24-82,88-97,103-124H,7-17H2,1-6H3,(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,87,102)/t18-,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-,77-,78-,79-,80-,81-,82+/m0/s1