Core 2 glycan structure

Cross-references

GlyTouCan : G96576WB

GlyGen : G96576WB

ChEBI : 155698

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Composition

Hex:4 HexNAc:5 dHex:1 NeuAc:2

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IUPAC

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

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-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-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
15s:n-acetyl
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(3+1)7d
7:7d(2+1)8n
8:7o(3+1)9d
9:9o(3+2)10d
10:10d(5+1)11n
11:6o(6+1)12d
12:12d(2+1)13n
13:3o(6+2)14d
14:14d(5+1)15n
15:1o(6+1)16d
16:16d(2+1)17n
17:16o(4+1)18d
18:18o(2+1)19d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p)--6a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,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)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)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)NC(=O)C)O)O)NC(=O)C)O)O)CO)CO)O)O)O)O)O

InCHI key

UUTDEYDGTGQPJW-TTZKQZJKSA-N

InCHI

InChI=1S/C92H151N7O66/c1-22-50(119)63(132)65(134)84(146-22)162-78-64(133)54(123)35(14-103)151-88(78)157-70-38(17-106)152-81(46(61(70)130)96-26(5)111)143-19-40-57(126)71(48(79(138)147-40)98-28(7)113)158-86-67(136)76(59(128)42(155-86)21-145-91(89(139)140)9-30(115)43(93-23(2)108)73(163-91)51(120)32(117)11-100)160-82-47(97-27(6)112)62(131)69(39(18-107)153-82)156-85-66(135)75(58(127)41(154-85)20-144-80-45(95-25(4)110)60(129)53(122)34(13-102)148-80)161-83-49(99-29(8)114)72(55(124)36(15-104)149-83)159-87-68(137)77(56(125)37(16-105)150-87)165-92(90(141)142)10-31(116)44(94-24(3)109)74(164-92)52(121)33(118)12-101/h22,30-88,100-107,115-138H,9-21H2,1-8H3,(H,93,108)(H,94,109)(H,95,110)(H,96,111)(H,97,112)(H,98,113)(H,99,114)(H,139,140)(H,141,142)/t22-,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-,88-,91+,92-/m0/s1