Core 3 glycan structure

Cross-references

GlyTouCan : G12121CY

GlyGen : G12121CY

ChEBI : 147785

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Composition

Hex:3 HexNAc:5 NeuAc:5

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IUPAC

NeuAc(a2-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]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:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
17s:n-acetyl
18b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
19s:n-acetyl
20b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
21s:n-acetyl
22b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
23s: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(3+1)9d
9:9d(2+1)10n
10:9o(4+1)11d
11:11o(3+1)12d
12:12d(2+1)13n
13:12o(4+2)14d
14:14d(5+1)15n
15:11o(6+2)16d
16:16d(5+1)17n
17:8o(6+2)18d
18:18d(5+1)19n
19:5o(6+2)20d
20:20d(5+1)21n
21:1o(6+2)22d
22:22d(5+1)23n

GWS

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

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)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@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)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[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

VEGJEONKPNGXEG-IQNCXCHSSA-N

InCHI

InChI=1S/C113H182N10O81/c1-29(133)114-57-39(143)11-109(104(170)171,200-88(57)67(153)44(148)16-124)180-25-53-72(158)87(66(96(169)184-53)123-38(10)142)195-97-62(119-34(6)138)76(162)83(49(21-129)185-97)192-101-80(166)93(73(159)54(189-101)26-181-110(105(172)173)12-40(144)58(115-30(2)134)89(201-110)68(154)45(149)17-125)196-98-63(120-35(7)139)77(163)84(50(22-130)186-98)193-102-81(167)94(74(160)55(190-102)27-182-111(106(174)175)13-41(145)59(116-31(3)135)90(202-111)69(155)46(150)18-126)197-99-64(121-36(8)140)78(164)85(51(23-131)187-99)194-103-82(168)95(75(161)56(191-103)28-183-112(107(176)177)14-42(146)60(117-32(4)136)91(203-112)70(156)47(151)19-127)198-100-65(122-37(9)141)79(165)86(52(24-132)188-100)199-113(108(178)179)15-43(147)61(118-33(5)137)92(204-113)71(157)48(152)20-128/h39-103,124-132,143-169H,11-28H2,1-10H3,(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)/t39-,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+,89+,90+,91+,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,109+,110+,111+,112+,113+/m0/s1