Core 3 glycan structure

Cross-references

GlyTouCan : G39100MY

GlyGen : G39100MY

ChEBI : 150437

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Composition

Hex:4 HexNAc:6 NeuAc:5

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IUPAC

GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:b-dgal-HEX-1:5
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dgal-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
18s:n-acetyl
19b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
20s:n-acetyl
21b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
22s:n-acetyl
23b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
24s:n-acetyl
25b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
26s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6d(2+1)7n
7:6o(4+1)8d
8:8o(3+1)9d
9:9d(2+1)10n
10:9o(4+1)11d
11:11o(3+1)12d
12:12d(2+1)13n
13:12o(4+1)14d
14:14o(3+1)15d
15:15d(2+1)16n
16:14o(6+2)17d
17:17d(5+1)18n
18:11o(6+2)19d
19:19d(5+1)20n
20:8o(6+2)21d
21:21d(5+1)22n
22:5o(6+2)23d
23:23d(5+1)24n
24:1o(6+2)25d
25:25d(5+1)26n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p)--6a2D-NeuAc,p)--6a2D-NeuAc,p)--6a2D-NeuAc,p)--6a2D-NeuAc,p)--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)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@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[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[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[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[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[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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

QWKYLZAWJGYCHB-FNKUNOMTSA-N

InCHI

InChI=1S/C127H205N11O91/c1-32(149)128-63-43(160)12-123(118(191)192,225-99(63)74(170)48(165)17-139)201-27-58-80(176)98(73(108(190)206-58)138-42(11)159)220-110-69(134-38(7)155)86(182)94(54(23-145)208-110)216-115-91(187)105(82(178)60(213-115)29-203-125(120(195)196)14-45(162)65(130-34(3)151)101(227-125)76(172)50(167)19-141)222-112-71(136-40(9)157)88(184)96(56(25-147)210-112)218-117-93(189)107(84(180)62(215-117)31-205-127(122(199)200)16-47(164)67(132-36(5)153)103(229-127)78(174)52(169)21-143)224-113-72(137-41(10)158)89(185)97(57(26-148)211-113)219-116-92(188)106(83(179)61(214-116)30-204-126(121(197)198)15-46(163)66(131-35(4)152)102(228-126)77(173)51(168)20-142)223-111-70(135-39(8)156)87(183)95(55(24-146)209-111)217-114-90(186)104(221-109-68(133-37(6)154)85(181)79(175)53(22-144)207-109)81(177)59(212-114)28-202-124(119(193)194)13-44(161)64(129-33(2)150)100(226-124)75(171)49(166)18-140/h43-117,139-148,160-190H,12-31H2,1-11H3,(H,128,149)(H,129,150)(H,130,151)(H,131,152)(H,132,153)(H,133,154)(H,134,155)(H,135,156)(H,136,157)(H,137,158)(H,138,159)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t43-,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-,123+,124+,125+,126+,127+/m0/s1