Complex glycan structure

Cross-references

GlyTouCan : G78276SQ

GlyGen : G78276SQ

ChEBI : 153976

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Composition

Hex:6 HexNAc:4 dHex:1 NeuAc:1

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IUPAC

Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)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-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:b-dgal-HEX-1:5
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(4+1)15d
15:15o(3+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--4b1D-Gal,p--3b1D-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[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)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

PIXYQATWOVEYCV-MAGRTCIESA-N

InCHI

InChI=1S/C85H141N5O63/c1-19-42(106)54(118)59(123)77(134-19)131-17-36-67(50(114)38(73(128)135-36)87-21(3)100)145-74-39(88-22(4)101)51(115)66(32(14-97)140-74)148-81-63(127)70(49(113)34(143-81)16-132-82-71(57(121)45(109)28(10-93)138-82)151-75-40(89-23(5)102)53(117)65(33(15-98)141-75)147-80-62(126)69(48(112)30(12-95)137-80)149-78-60(124)55(119)44(108)27(9-92)136-78)150-83-72(58(122)46(110)29(11-94)139-83)152-76-41(90-24(6)103)52(116)64(31(13-96)142-76)146-79-61(125)56(120)47(111)35(144-79)18-133-85(84(129)130)7-25(104)37(86-20(2)99)68(153-85)43(107)26(105)8-91/h19,25-83,91-98,104-128H,7-18H2,1-6H3,(H,86,99)(H,87,100)(H,88,101)(H,89,102)(H,90,103)(H,129,130)/t19-,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-,83+,85+/m0/s1