Complex glycan structure

Cross-references

GlyTouCan : G01856RL

GlyGen : G01856RL

ChEBI : 156792

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Composition

Hex:5 HexNAc:4 NeuGc:1

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IUPAC

NeuGc(a2-6)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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-glycolyl
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b: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
9:9o(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

GWS

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

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)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)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[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

QSTBYNZWODVAIS-LEONRSRXSA-N

InCHI

InChI=1S/C73H121N5O55/c1-17(88)74-34-44(101)55(26(10-83)117-63(34)112)126-64-35(75-18(2)89)45(102)58(29(13-86)121-64)129-69-54(111)60(43(100)30(124-69)15-115-70-61(50(107)40(97)24(8-81)119-70)131-65-36(76-19(3)90)46(103)56(27(11-84)122-65)127-67-52(109)48(105)39(96)23(7-80)118-67)130-71-62(51(108)41(98)25(9-82)120-71)132-66-37(77-20(4)91)47(104)57(28(12-85)123-66)128-68-53(110)49(106)42(99)31(125-68)16-116-73(72(113)114)5-21(92)33(78-32(94)14-87)59(133-73)38(95)22(93)6-79/h21-31,33-71,79-87,92-93,95-112H,5-16H2,1-4H3,(H,74,88)(H,75,89)(H,76,90)(H,77,91)(H,78,94)(H,113,114)/t21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,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+,73+/m0/s1