Complex glycan structure

Cross-references

GlyTouCan : G25392ZR

GlyGen : G25392ZR

ChEBI : 149139

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Composition

Hex:10 HexNAc:9 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(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)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:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
13b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
14s:n-acetyl
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
19s:n-acetyl
20b:a-dman-HEX-1:5
21b:b-dglc-HEX-1:5
22s:n-acetyl
23b:b-dgal-HEX-1:5
24b:b-dglc-HEX-1:5
25s:n-acetyl
26b:b-dgal-HEX-1:5
27b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
28s:n-acetyl
29b:b-dglc-HEX-1:5
30s:n-acetyl
31b:b-dgal-HEX-1:5
32b:b-dglc-HEX-1:5
33s:n-acetyl
34b:b-dgal-HEX-1:5
35b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
36s:n-acetyl
37b: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+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:12o(3+2)13d
13:13d(5+1)14n
14:6o(4+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:17o(3+2)18d
18:18d(5+1)19n
19:5o(6+1)20d
20:20o(2+1)21d
21:21d(2+1)22n
22:21o(4+1)23d
23:23o(3+1)24d
24:24d(2+1)25n
25:24o(4+1)26d
26:26o(3+2)27d
27:27d(5+1)28n
28:20o(6+1)29d
29:29d(2+1)30n
30:29o(4+1)31d
31:31o(3+1)32d
32:32d(2+1)33n
33:32o(4+1)34d
34:34o(3+2)35d
35:35d(5+1)36n
36:1o(6+1)37d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-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--3b1D-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@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)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[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[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@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)NC(=O)C)O)O)O

InCHI key

FRMOAGMUPUTRSA-MOOAQYNDSA-N

InCHI

InChI=1S/C182H297N13O132/c1-42-96(237)119(260)121(262)164(284-42)282-41-82-140(110(251)87(155(272)285-82)187-47(6)220)305-158-90(190-50(9)223)113(254)134(72(31-208)295-158)309-168-126(267)148(317-174-154(122(263)139(79(38-215)301-174)304-157-89(189-49(8)222)112(253)135(73(32-209)294-157)310-169-127(268)149(105(246)67(26-203)289-169)324-179(175(273)274)15-56(229)83(183-43(2)216)141(320-179)97(238)60(233)19-196)319-163-95(195-55(14)228)118(259)133(78(37-214)300-163)308-167-125(266)147(104(245)66(25-202)288-167)316-161-93(193-53(12)226)116(257)138(76(35-212)298-161)313-172-130(271)152(108(249)70(29-206)292-172)327-182(178(279)280)18-59(232)86(186-46(5)219)144(323-182)100(241)63(236)22-199)109(250)81(302-168)40-283-173-153(318-162-94(194-54(13)227)117(258)132(77(36-213)299-162)307-166-124(265)146(103(244)65(24-201)287-166)315-160-92(192-52(11)225)115(256)137(75(34-211)297-160)312-171-129(270)151(107(248)69(28-205)291-171)326-181(177(277)278)17-58(231)85(185-45(4)218)143(322-181)99(240)62(235)21-198)120(261)101(242)80(303-173)39-281-156-88(188-48(7)221)111(252)131(71(30-207)293-156)306-165-123(264)145(102(243)64(23-200)286-165)314-159-91(191-51(10)224)114(255)136(74(33-210)296-159)311-170-128(269)150(106(247)68(27-204)290-170)325-180(176(275)276)16-57(230)84(184-44(3)217)142(321-180)98(239)61(234)20-197/h42,56-174,196-215,229-272H,15-41H2,1-14H3,(H,183,216)(H,184,217)(H,185,218)(H,186,219)(H,187,220)(H,188,221)(H,189,222)(H,190,223)(H,191,224)(H,192,225)(H,193,226)(H,194,227)(H,195,228)(H,273,274)(H,275,276)(H,277,278)(H,279,280)/t42-,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-,147-,148-,149-,150-,151-,152-,153-,154-,155+,156+,157-,158-,159-,160-,161-,162-,163-,164+,165-,166-,167-,168-,169-,170-,171-,172-,173-,174+,179-,180-,181-,182-/m0/s1