Core 3 glycan structure

Cross-references

GlyTouCan : G23870PO

GlyGen : G23870PO

ChEBI : 148762

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Composition

Hex:3 HexNAc:5 dHex:1 NeuAc:1

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IUPAC

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

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:b-dgal-HEX-1:5
9b:a-lgal-HEX-1:5|6:d
10b:a-dgal-HEX-1:5
11s:n-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dgal-HEX-1:5
15b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
16s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6d(2+1)7n
7:6o(4+1)8d
8:8o(2+1)9d
9:8o(3+1)10d
10:10d(2+1)11n
11:5o(6+1)12d
12:12d(2+1)13n
13:12o(4+1)14d
14:1o(6+2)15d
15:15d(5+1)16n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p)--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)CO)CO[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)O)O)NC(=O)C)O)CO)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)O

InCHI key

GHQINTKYDVXRQO-JAFZQSBZSA-N

InCHI

InChI=1S/C75H124N6O53/c1-18-41(97)52(108)54(110)70(118-18)133-64-63(132-67-36(77-20(3)90)48(104)43(99)27(10-83)120-67)45(101)29(12-85)122-73(64)129-59-32(15-88)125-69(39(51(59)107)80-23(6)93)131-62-47(103)33(16-116-66-37(78-21(4)91)49(105)57(30(13-86)123-66)127-71-55(111)53(109)44(100)28(11-84)121-71)126-72(56(62)112)128-58-31(14-87)124-68(38(50(58)106)79-22(5)92)130-60-40(81-24(7)94)65(113)119-34(46(60)102)17-117-75(74(114)115)8-25(95)35(76-19(2)89)61(134-75)42(98)26(96)9-82/h18,25-73,82-88,95-113H,8-17H2,1-7H3,(H,76,89)(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H,114,115)/t18-,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-,75+/m0/s1