Complex glycan structure

Cross-references

GlyTouCan : G20757EV

GlyGen : G20757EV

ChEBI : 148290

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Composition

Hex:5 HexNAc:3 NeuAc:2

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dman-HEX-1:5
4b:a-dman-HEX-1:5
5b:b-dglc-HEX-1:5
6s:n-acetyl
7b:b-dgal-HEX-1:5
8b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
9s:n-acetyl
10b:a-dman-HEX-1:5
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
15s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3o(3+1)4d
4:4o(2+1)5d
5:5d(2+1)6n
6:5o(4+1)7d
7:7o(3+2)8d
8:8d(5+1)9n
9:3o(6+1)10d
10:10o(2+1)11d
11:11d(2+1)12n
12:11o(4+1)13d
13:13o(3+2)14d
14:14d(5+1)15n

GWS

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

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O)CO)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)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[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)NC(=O)C)O)CO)O)O)CO)CO)O)O

InCHI key

HUQOUVGPULZVCI-YWYGXZHJSA-N

InCHI

InChI=1S/C76H125N5O57/c1-18(91)77-35-23(96)6-75(73(116)117,135-58(35)40(100)25(98)8-82)137-61-44(104)29(12-86)122-69(53(61)113)130-56-32(15-89)126-66(38(48(56)108)80-21(4)94)133-63-50(110)42(102)27(10-84)124-71(63)120-17-34-46(106)60(52(112)68(128-34)129-55-31(14-88)121-65(115)37(47(55)107)79-20(3)93)132-72-64(51(111)43(103)28(11-85)125-72)134-67-39(81-22(5)95)49(109)57(33(16-90)127-67)131-70-54(114)62(45(105)30(13-87)123-70)138-76(74(118)119)7-24(97)36(78-19(2)92)59(136-76)41(101)26(99)9-83/h23-72,82-90,96-115H,6-17H2,1-5H3,(H,77,91)(H,78,92)(H,79,93)(H,80,94)(H,81,95)(H,116,117)(H,118,119)/t23-,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+,75-,76-/m0/s1