Complex glycan structure

Cross-references

GlyTouCan : G62619LG

GlyGen : G62619LG

ChEBI : 152530

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Composition

Hex:9 HexNAc:8 dHex:1 NeuAc:3

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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(b1-2)[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-dman-HEX-1:5
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19b:b-dglc-HEX-1:5
20s:n-acetyl
21b:b-dgal-HEX-1:5
22b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
23s:n-acetyl
24b:b-dglc-HEX-1:5
25s:n-acetyl
26b:b-dgal-HEX-1:5
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: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
14:5o(6+1)15d
15:15o(2+1)16d
16:16d(2+1)17n
17:16o(4+1)18d
18:18o(3+1)19d
19:19d(2+1)20n
20:19o(4+1)21d
21:21o(3+2)22d
22:22d(5+1)23n
23:15o(6+1)24d
24:24d(2+1)25n
25:24o(4+1)26d
26:26o(3+1)27d
27:27d(2+1)28n
28:27o(4+1)29d
29:29o(3+2)30d
30:30d(5+1)31n
31:1o(6+1)32d

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)--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)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

OCNAQFDYPAZTQD-AHOMMOJVSA-N

InCHI

InChI=1S/C157H257N11O114/c1-36-82(203)102(223)105(226)142(245-36)243-35-70-122(94(215)74(134(235)246-70)161-40(5)189)264-137-77(164-43(8)192)97(218)117(62(27-180)255-137)268-146-110(231)128(274-151-133(107(228)121(67(32-185)260-151)263-136-76(163-42(7)191)96(217)115(61(26-179)254-136)265-143-106(227)103(224)86(207)54(19-172)247-143)276-141-81(168-47(12)196)101(222)120(66(31-184)259-141)271-149-113(234)131(92(213)59(24-177)252-149)282-157(154(240)241)15-50(199)73(160-39(4)188)125(279-157)85(206)53(202)18-171)93(214)69(261-146)34-244-150-132(275-140-80(167-46(11)195)100(221)116(65(30-183)258-140)267-145-109(230)127(89(210)56(21-174)249-145)273-139-79(166-45(10)194)99(220)119(64(29-182)257-139)270-148-112(233)130(91(212)58(23-176)251-148)281-156(153(238)239)14-49(198)72(159-38(3)187)124(278-156)84(205)52(201)17-170)104(225)87(208)68(262-150)33-242-135-75(162-41(6)190)95(216)114(60(25-178)253-135)266-144-108(229)126(88(209)55(20-173)248-144)272-138-78(165-44(9)193)98(219)118(63(28-181)256-138)269-147-111(232)129(90(211)57(22-175)250-147)280-155(152(236)237)13-48(197)71(158-37(2)186)123(277-155)83(204)51(200)16-169/h36,48-151,169-185,197-235H,13-35H2,1-12H3,(H,158,186)(H,159,187)(H,160,188)(H,161,189)(H,162,190)(H,163,191)(H,164,192)(H,165,193)(H,166,194)(H,167,195)(H,168,196)(H,236,237)(H,238,239)(H,240,241)/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-,147-,148-,149-,150-,151+,155-,156-,157-/m0/s1