Complex glycan structure

Cross-references

GlyTouCan : G96503EZ

GlyGen : G96503EZ

ChEBI : 155682

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Composition

Hex:6 HexNAc:5 dHex:1 NeuAc:2

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)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:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
20s:n-acetyl
21b: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+1)16d
16:16d(2+1)17n
17:16o(4+1)18d
18:18o(3+2)19d
19:19d(5+1)20n
20:1o(6+1)21d

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--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)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)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[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

BRESGMYLXGEYBJ-XILYEMRZSA-N

InCHI

InChI=1S/C104H171N7O76/c1-24-54(134)68(148)71(151)94(163-24)161-23-46-80(63(143)49(89(156)164-46)107-27(4)125)175-90-50(108-28(5)126)64(144)77(41(18-119)170-90)177-96-73(153)84(181-100-88(70(150)58(138)37(14-115)169-100)183-93-53(111-31(8)129)67(147)79(44(21-122)173-93)179-98-75(155)86(61(141)40(17-118)167-98)187-104(102(159)160)10-33(131)48(106-26(3)124)82(185-104)56(136)35(133)12-113)62(142)45(174-96)22-162-99-87(69(149)57(137)36(13-114)168-99)182-92-52(110-30(7)128)66(146)76(43(20-121)172-92)176-95-72(152)83(59(139)38(15-116)165-95)180-91-51(109-29(6)127)65(145)78(42(19-120)171-91)178-97-74(154)85(60(140)39(16-117)166-97)186-103(101(157)158)9-32(130)47(105-25(2)123)81(184-103)55(135)34(132)11-112/h24,32-100,112-122,130-156H,9-23H2,1-8H3,(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)(H,157,158)(H,159,160)/t24-,32-,33-,34+,35+,36+,37+,38+,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+,103-,104-/m0/s1