Complex glycan structure

Cross-references

GlyTouCan : G90542MP

GlyGen : G90542MP

ChEBI : 154841

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Composition

Hex:7 HexNAc:9 dHex:1 NeuAc:4

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,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[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)NC(=O)C)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)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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)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[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)NC(=O)C)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[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

VYCYSHYMKIPXOB-MYASVJMCSA-N

InCHI

InChI=1S/C164H267N13O117/c1-39-90(215)110(235)113(238)149(258-39)255-37-76-126(104(229)81(140(245)259-76)169-44(6)198)276-146-87(175-50(12)204)107(232)122(66(28-187)265-146)278-151-116(241)134(285-156-139(287-148-89(177-52(14)206)108(233)121(65(27-186)267-148)277-150-114(239)111(236)98(223)75(273-150)38-257-161(157(246)247)15-53(207)77(165-40(2)194)130(288-161)91(216)57(211)19-178)115(240)125(69(31-190)271-156)275-145-86(174-49(11)203)106(231)123(67(29-188)264-145)280-153-118(243)136(128(71(33-192)269-153)283-143-83(171-46(8)200)102(227)96(221)62(24-183)261-143)293-163(159(250)251)17-55(209)79(167-42(4)196)132(290-163)93(218)59(213)21-180)100(225)74(272-151)36-256-155-138(286-147-88(176-51(13)205)109(234)124(68(30-189)266-147)281-154-119(244)137(129(72(34-193)270-154)284-144-84(172-47(9)201)103(228)97(222)63(25-184)262-144)294-164(160(252)253)18-56(210)80(168-43(5)197)133(291-164)94(219)60(214)22-181)112(237)99(224)73(274-155)35-254-141-85(173-48(10)202)105(230)120(64(26-185)263-141)279-152-117(242)135(127(70(32-191)268-152)282-142-82(170-45(7)199)101(226)95(220)61(23-182)260-142)292-162(158(248)249)16-54(208)78(166-41(3)195)131(289-162)92(217)58(212)20-179/h39,53-156,178-193,207-245H,15-38H2,1-14H3,(H,165,194)(H,166,195)(H,167,196)(H,168,197)(H,169,198)(H,170,199)(H,171,200)(H,172,201)(H,173,202)(H,174,203)(H,175,204)(H,176,205)(H,177,206)(H,246,247)(H,248,249)(H,250,251)(H,252,253)/t39-,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-,147-,148-,149+,150-,151-,152-,153-,154-,155-,156+,161+,162-,163-,164-/m0/s1