Complex glycan structure

Cross-references

GlyTouCan : G90348RI

GlyGen : G90348RI

ChEBI : 154807

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Composition

Hex:5 HexNAc:4 dHex:2 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[Gal(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
10b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:a-lgal-HEX-1:5|6:d
16b:b-dgal-HEX-1:5
17b: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(6+2)10d
10:10d(5+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(3+1)15d
15:13o(4+1)16d
16:1o(6+1)17d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

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[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

ZOHFSTGTHSEJRA-TZIWIHCZSA-N

InCHI

InChI=1S/C85H141N5O62/c1-19-42(105)53(116)59(122)77(133-19)130-17-36-66(50(113)38(73(127)135-36)87-22(4)99)144-74-39(88-23(5)100)51(114)65(32(14-96)139-74)146-81-63(126)70(49(112)34(142-81)16-131-82-71(57(120)46(109)29(11-93)137-82)150-76-41(90-25(7)102)69(148-78-60(123)54(117)43(106)20(2)134-78)67(33(15-97)141-76)147-79-61(124)55(118)45(108)28(10-92)136-79)149-83-72(58(121)47(110)30(12-94)138-83)151-75-40(89-24(6)101)52(115)64(31(13-95)140-75)145-80-62(125)56(119)48(111)35(143-80)18-132-85(84(128)129)8-26(103)37(86-21(3)98)68(152-85)44(107)27(104)9-91/h19-20,26-83,91-97,103-127H,8-18H2,1-7H3,(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,128,129)/t19-,20-,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-,83+,85+/m0/s1