Structure

Cross-references

GlyTouCan : G73418FX

GlyGen : G73418FX

ChEBI : 153496

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Composition

Hex:3 HexNAc:6 dHex:2 NeuAc:1

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IUPAC

NeuAc(a2-6)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[GalNAc(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
10s:n-acetyl
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:a-lgal-HEX-1:5|6:d
17b:b-dgal-HEX-1:5
18s:n-acetyl
19b: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
9:9d(2+1)10n
10:9o(6+2)11d
11:11d(5+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(3+1)16d
16:14o(4+1)17d
17:17d(2+1)18n
18:1o(6+1)19d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-GalNAc,p--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-GalNAc,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)NC(=O)C)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)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

IDDULZZDKLMXKB-QISWIRRGSA-N

InCHI

InChI=1S/C89H147N7O62/c1-21-48(113)61(126)65(130)83(139-21)136-19-40-70(58(123)42(77(133)141-40)91-24(4)105)151-80-45(94-27(7)108)60(125)69(36(16-102)145-80)152-85-67(132)74(55(120)38(149-85)18-137-86-75(63(128)52(117)33(13-99)143-86)156-82-47(96-29(9)110)73(154-84-66(131)62(127)49(114)22(2)140-84)71(37(17-103)147-82)153-78-43(92-25(5)106)56(121)51(116)32(12-98)142-78)155-87-76(64(129)53(118)34(14-100)144-87)157-81-46(95-28(8)109)59(124)68(35(15-101)146-81)150-79-44(93-26(6)107)57(122)54(119)39(148-79)20-138-89(88(134)135)10-30(111)41(90-23(3)104)72(158-89)50(115)31(112)11-97/h21-22,30-87,97-103,111-133H,10-20H2,1-9H3,(H,90,104)(H,91,105)(H,92,106)(H,93,107)(H,94,108)(H,95,109)(H,96,110)(H,134,135)/t21-,22-,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+,84-,85-,86-,87+,89+/m0/s1