Complex glycan structure

Cross-references

GlyTouCan : G39018CC

GlyGen : G39018CC

ChEBI : 150414

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Composition

Hex:6 HexNAc:5 dHex:1 NeuAc:3

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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(4+1)9d
9:9o(6+2)10d
10:10d(5+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15o(6+2)16d
16:16d(5+1)17n
17:12o(6+1)18d
18:18d(2+1)19n
19:18o(4+1)20d
20:20o(6+2)21d
21:21d(5+1)22n
22:1o(6+1)23d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1D-Man,p(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--6a2D-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[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)O)O)NC(=O)C)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)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[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)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

FLCCKSSYLPYQDA-MGXWOPFZSA-N

InCHI

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