Complex glycan structure

Cross-references

GlyTouCan : G56516KW

GlyGen : G56516KW

ChEBI : 151470

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Composition

Hex:7 HexNAc:6 dHex:1 NeuAc:3

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)[NeuAc(a2-3)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: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: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: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
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15o(3+2)16d
16:16d(5+1)17n
17:12o(6+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
25:1o(6+1)26d

GWS

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

ZFCVFRIAFODAFX-HNCGSIAASA-N

InCHI

InChI=1S/C129H211N9O94/c1-30-68(167)85(184)88(187)116(203-30)201-29-58-99(79(178)62(110(193)204-58)133-34(5)155)217-112-64(135-36(7)157)81(180)95(52(23-148)211-112)219-118-90(189)104(224-123-109(86(185)72(171)46(17-142)209-123)226-115-67(138-39(10)160)84(183)98(55(26-151)214-115)222-121-93(192)107(77(176)50(21-146)208-121)232-129(126(198)199)13-42(163)61(132-33(4)154)102(229-129)71(170)45(166)16-141)78(177)57(215-118)28-202-122-108(225-114-66(137-38(9)159)83(182)97(54(25-150)213-114)221-120-92(191)106(76(175)49(20-145)207-120)231-128(125(196)197)12-41(162)60(131-32(3)153)101(228-128)70(169)44(165)15-140)87(186)73(172)56(216-122)27-200-111-63(134-35(6)156)80(179)94(51(22-147)210-111)218-117-89(188)103(74(173)47(18-143)205-117)223-113-65(136-37(8)158)82(181)96(53(24-149)212-113)220-119-91(190)105(75(174)48(19-144)206-119)230-127(124(194)195)11-40(161)59(130-31(2)152)100(227-127)69(168)43(164)14-139/h30,40-123,139-151,161-193H,11-29H2,1-10H3,(H,130,152)(H,131,153)(H,132,154)(H,133,155)(H,134,156)(H,135,157)(H,136,158)(H,137,159)(H,138,160)(H,194,195)(H,196,197)(H,198,199)/t30-,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-,110+,111+,112-,113-,114-,115-,116+,117-,118-,119-,120-,121-,122-,123+,127-,128-,129-/m0/s1