Complex glycan structure

Cross-references

GlyTouCan : G59361OW

GlyGen : G59361OW

ChEBI : 152450

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Composition

Hex:3 HexNAc:7 dHex:1

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IUPAC

GalNAc(b1-4)GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GalNAc(b1-4)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
10s:n-acetyl
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17s:n-acetyl
18b: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
9:9d(2+1)10n
10:6o(4+1)11d
11:11d(2+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16d(2+1)17n
17:1o(6+1)18d

GWS

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

Glycam

DGalpNAcb1-4DGlcpNAcb1-2[DGlcpNAcb1-4]DManpa1-3[DGalpNAcb1-4DGlcpNAcb1-2DManpa1-6]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)NC(=O)C)O)NC(=O)C)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)NC(=O)C)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)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

AQAGCVAIBYPVFT-ZUVQRIHGSA-N

InCHI

InChI=1S/C80H133N7O55/c1-19-44(103)57(116)59(118)77(124-19)122-18-36-66(53(112)37(70(121)125-36)81-20(2)96)138-74-41(85-24(6)100)56(115)64(33(15-94)130-74)139-78-61(120)67(49(108)35(134-78)17-123-79-68(58(117)48(107)30(12-91)129-79)141-75-42(86-25(7)101)54(113)62(31(13-92)131-75)135-71-38(82-21(3)97)50(109)45(104)27(9-88)126-71)140-80-69(60(119)65(34(16-95)133-80)137-73-40(84-23(5)99)52(111)47(106)29(11-90)128-73)142-76-43(87-26(8)102)55(114)63(32(14-93)132-76)136-72-39(83-22(4)98)51(110)46(105)28(10-89)127-72/h19,27-80,88-95,103-121H,9-18H2,1-8H3,(H,81,96)(H,82,97)(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,87,102)/t19-,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+/m0/s1