Complex glycan structure

Cross-references

GlyTouCan : G80264ZA

GlyGen : G80264ZA

ChEBI : 153766

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Composition

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

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IUPAC

NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)[GlcNAc(b1-6)]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
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:b-dgal-HEX-1:5
15b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
16s:n-acetyl
17b:a-dman-HEX-1:5
18b:b-dglc-HEX-1:5
19s:n-acetyl
20b:b-dgal-HEX-1:5
21b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
22s:n-acetyl
23b:b-dglc-HEX-1:5
24s:n-acetyl
25b: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(3+1)9d
9:9o(3+2)10d
10:10d(5+1)11n
11:6o(4+1)12d
12:12d(2+1)13n
13:12o(3+1)14d
14:14o(3+2)15d
15:15d(5+1)16n
16:5o(6+1)17d
17:17o(2+1)18d
18:18d(2+1)19n
19:18o(3+1)20d
20:20o(3+2)21d
21:21d(5+1)22n
22:17o(6+1)23d
23:23d(2+1)24n
24:1o(6+1)25d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--4b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6a1Man(--2b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)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[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)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)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[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)O

InCHI key

QZVXGPNWOIBDFP-XKZBQBBRSA-N

InCHI

InChI=1S/C123H201N9O89/c1-29-66(160)82(176)84(178)111(194-29)192-28-56-92(80(174)60(105(184)195-56)127-33(5)148)208-107-62(129-35(7)150)81(175)90(52(24-143)203-107)209-112-86(180)99(78(172)55(205-112)27-193-116-103(83(177)71(165)54(206-116)26-191-106-61(128-34(6)149)79(173)70(164)45(17-136)196-106)214-109-64(131-37(9)152)94(73(167)47(19-138)198-109)211-114-88(182)101(76(170)50(22-141)201-114)220-122(119(187)188)12-40(155)58(125-31(3)146)97(217-122)68(162)43(158)15-134)213-117-104(215-110-65(132-38(10)153)95(74(168)48(20-139)199-110)212-115-89(183)102(77(171)51(23-142)202-115)221-123(120(189)190)13-41(156)59(126-32(4)147)98(218-123)69(163)44(159)16-135)85(179)91(53(25-144)204-117)207-108-63(130-36(8)151)93(72(166)46(18-137)197-108)210-113-87(181)100(75(169)49(21-140)200-113)219-121(118(185)186)11-39(154)57(124-30(2)145)96(216-121)67(161)42(157)14-133/h29,39-117,133-144,154-184H,11-28H2,1-10H3,(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,128,149)(H,129,150)(H,130,151)(H,131,152)(H,132,153)(H,185,186)(H,187,188)(H,189,190)/t29-,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+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,101-,102-,103-,104-,105+,106+,107-,108-,109-,110-,111+,112-,113-,114-,115-,116-,117+,121-,122-,123-/m0/s1