Complex glycan structure

Cross-references

GlyTouCan : G11509RN

GlyGen : G11509RN

ChEBI : 147590

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Composition

Hex:6 HexNAc:4 dHex:1 NeuGc:1

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IUPAC

Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuGc(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-glycolyl
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16b:a-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-NeuGc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a1D-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)CO)O)C(=O)O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

WLOOUOLCPYAKOZ-XPJMWMAESA-N

InCHI

InChI=1S/C85H141N5O64/c1-19-42(107)54(119)59(124)77(135-19)132-17-35-67(50(115)38(73(129)136-35)86-20(2)100)146-74-39(87-21(3)101)51(116)66(31(13-97)141-74)149-81-63(128)70(49(114)33(144-81)16-133-82-71(57(122)45(110)27(9-93)139-82)152-75-40(88-22(4)102)53(118)65(32(14-98)142-75)148-80-62(127)69(48(113)29(11-95)138-80)150-78-60(125)55(120)44(109)26(8-92)137-78)151-83-72(58(123)46(111)28(10-94)140-83)153-76-41(89-23(5)103)52(117)64(30(12-96)143-76)147-79-61(126)56(121)47(112)34(145-79)18-134-85(84(130)131)6-24(104)37(90-36(106)15-99)68(154-85)43(108)25(105)7-91/h19,24-35,37-83,91-99,104-105,107-129H,6-18H2,1-5H3,(H,86,100)(H,87,101)(H,88,102)(H,89,103)(H,90,106)(H,130,131)/t19-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,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