Complex glycan structure

Cross-references

GlyTouCan : G99866WK

GlyGen : G99866WK

ChEBI : 155793

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Composition

Hex:6 HexNAc:5 NeuAc:4

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IUPAC

NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-4)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
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
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(3+1)14d
14:14o(3+2)15d
15:15d(5+1)16n
16:12o(6+2)17d
17:17d(5+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

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-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[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)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)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)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[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)NC(=O)C)O)CO)O)O)O)O

InCHI key

LZBQSHAXPQCNRH-YXBDZMFUSA-N

InCHI

InChI=1S/C120H195N9O88/c1-29(142)121-57-38(151)10-117(113(181)182,212-93(57)66(159)42(155)14-130)190-27-55-71(164)80(173)82(175)107(202-55)205-88-50(22-138)198-105(64(78(88)171)128-36(8)149)211-101-83(176)91(204-106-65(129-37(9)150)92(74(167)56(200-106)28-191-118(114(183)184)11-39(152)58(122-30(2)143)94(213-118)67(160)43(156)15-131)208-110-86(179)99(73(166)48(20-136)194-110)217-120(116(187)188)13-41(154)60(124-32(4)145)96(215-120)69(162)45(158)17-133)53(25-141)199-112(101)209-97-75(168)54(201-108(84(97)177)206-89-51(23-139)196-103(62(77(89)170)126-34(6)147)203-87-49(21-137)192-102(180)61(76(87)169)125-33(5)146)26-189-111-100(81(174)70(163)46(18-134)195-111)210-104-63(127-35(7)148)79(172)90(52(24-140)197-104)207-109-85(178)98(72(165)47(19-135)193-109)216-119(115(185)186)12-40(153)59(123-31(3)144)95(214-119)68(161)44(157)16-132/h38-112,130-141,151-180H,10-28H2,1-9H3,(H,121,142)(H,122,143)(H,123,144)(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,128,149)(H,129,150)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/t38-,39-,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+,117+,118+,119-,120-/m0/s1