Complex glycan structure

Cross-references

GlyTouCan : G27844UM

GlyGen : G27844UM

ChEBI : 149038

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Composition

Hex:8 HexNAc:7 dHex:1 NeuAc:4

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]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: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:b-dglc-HEX-1:5
22s:n-acetyl
23b:b-dgal-HEX-1:5
24b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
25s:n-acetyl
26b:b-dglc-HEX-1:5
27s:n-acetyl
28b:b-dgal-HEX-1:5
29b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
30s:n-acetyl
31b: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(3+2)10d
10:10d(5+1)11n
11:6o(4+1)12d
12:12d(2+1)13n
13:12o(4+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(4+1)20d
20:20o(3+1)21d
21:21d(2+1)22n
22:21o(4+1)23d
23:23o(3+2)24d
24:24d(5+1)25n
25:17o(6+1)26d
26:26d(2+1)27n
27:26o(4+1)28d
28:28o(3+2)29d
29:29d(5+1)30n
30:1o(6+1)31d

GWS

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

InCHI key

RNJJQQSSILOTSG-LREVJEOCSA-N

InCHI

InChI=1S/C154H251N11O112/c1-36-82(201)101(220)103(222)138(242-36)240-35-70-118(94(213)75(131(230)243-70)159-41(6)186)259-134-78(162-44(9)189)97(216)113(62(27-176)251-134)261-140-106(225)124(267-146-130(269-137-81(165-47(12)192)100(219)116(66(31-180)254-137)265-144-110(229)128(92(211)60(25-174)248-144)277-154(150(237)238)16-51(196)74(158-40(5)185)122(273-154)86(205)55(200)20-169)104(223)117(67(32-181)255-146)258-133-77(161-43(8)188)96(215)114(63(28-177)250-133)263-142-108(227)126(90(209)58(23-172)246-142)275-152(148(233)234)14-49(194)72(156-38(3)183)120(271-152)84(203)53(198)18-167)93(212)69(256-140)34-241-145-129(102(221)87(206)68(257-145)33-239-132-76(160-42(7)187)95(214)111(61(26-175)249-132)262-141-107(226)125(89(208)57(22-171)245-141)274-151(147(231)232)13-48(193)71(155-37(2)182)119(270-151)83(202)52(197)17-166)268-136-80(164-46(11)191)99(218)112(65(30-179)253-136)260-139-105(224)123(88(207)56(21-170)244-139)266-135-79(163-45(10)190)98(217)115(64(29-178)252-135)264-143-109(228)127(91(210)59(24-173)247-143)276-153(149(235)236)15-50(195)73(157-39(4)184)121(272-153)85(204)54(199)19-168/h36,48-146,166-181,193-230H,13-35H2,1-12H3,(H,155,182)(H,156,183)(H,157,184)(H,158,185)(H,159,186)(H,160,187)(H,161,188)(H,162,189)(H,163,190)(H,164,191)(H,165,192)(H,231,232)(H,233,234)(H,235,236)(H,237,238)/t36-,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+,118+,119+,120+,121+,122+,123-,124-,125-,126-,127-,128-,129-,130-,131+,132+,133-,134-,135-,136-,137-,138+,139-,140-,141-,142-,143-,144-,145-,146+,151-,152-,153-,154-/m0/s1