Complex glycan structure

Cross-references

GlyTouCan : G13659RH

GlyGen : G13659RH

ChEBI : 147441

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Composition

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6a1Man(--2b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,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[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[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)NC(=O)C)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)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)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

HHKINIQPVHXIMI-JYQFMZSKSA-N

InCHI

InChI=1S/C115H188N8O84/c1-27-61(149)76(164)79(167)103(182-27)180-26-52-85(74(162)56(98(172)183-52)119-31(5)138)194-100-57(120-32(6)139)75(163)84(49(23-134)191-100)195-104-80(168)92(199-109-97(77(165)65(153)42(16-127)190-109)201-102-60(123-35(9)142)88(69(157)45(19-130)186-102)198-107-83(171)95(72(160)48(22-133)189-107)207-115(112(177)178)12-38(145)55(118-30(4)137)91(204-115)64(152)41(148)15-126)73(161)51(192-104)25-181-108-96(200-101-59(122-34(8)141)87(68(156)44(18-129)185-101)197-106-82(170)94(71(159)47(21-132)188-106)206-114(111(175)176)11-37(144)54(117-29(3)136)90(203-114)63(151)40(147)14-125)78(166)66(154)50(193-108)24-179-99-58(121-33(7)140)86(67(155)43(17-128)184-99)196-105-81(169)93(70(158)46(20-131)187-105)205-113(110(173)174)10-36(143)53(116-28(2)135)89(202-113)62(150)39(146)13-124/h27,36-109,124-134,143-172H,10-26H2,1-9H3,(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,173,174)(H,175,176)(H,177,178)/t27-,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+,89+,90+,91+,92-,93-,94-,95-,96-,97-,98+,99+,100-,101-,102-,103+,104-,105-,106-,107-,108-,109+,113-,114-,115-/m0/s1