Complex glycan structure

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No image
N-Linked / Complex (avg mass : 2883.6625)

3D structure from GLYCAM

Cross-references

GlyTouCan : G75308SV

GlyGen : G75308SV

ChEBI : 153988


Composition

Hex:8 HexNAc:7 dHex:1


IUPAC

Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)[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:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17b:b-dglc-HEX-1:5
18s:n-acetyl
19b:b-dgal-HEX-1:5
20b:b-dglc-HEX-1:5
21s:n-acetyl
22b:b-dgal-HEX-1:5
23b: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
9:6o(4+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:13o(6+1)17d
17:17d(2+1)18n
18:17o(4+1)19d
19:19o(3+1)20d
20:20d(2+1)21n
21:20o(4+1)22d
22:1o(6+1)23d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p)--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-6]DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

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)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)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)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

KMVJCDFGJZGFRY-IFDMYQQYSA-N

InCHI

InChI=1S/C110H183N7O80/c1-24-54(137)69(152)75(158)102(170-24)168-23-46-90(62(145)47(95(166)171-46)111-25(2)130)187-98-50(114-28(5)133)65(148)88(42(19-128)179-98)193-108-82(165)92(195-110-94(197-101-53(117-31(8)136)68(151)87(41(18-127)182-101)191-106-79(162)73(156)58(141)35(12-121)175-106)80(163)89(43(20-129)183-110)186-97-49(113-27(4)132)64(147)84(38(15-124)178-97)188-103-76(159)70(153)55(138)32(9-118)172-103)61(144)45(184-108)22-169-109-93(196-100-52(116-30(7)135)67(150)86(40(17-126)181-100)190-105-78(161)72(155)57(140)34(11-120)174-105)74(157)59(142)44(185-109)21-167-96-48(112-26(3)131)63(146)83(37(14-123)177-96)192-107-81(164)91(60(143)36(13-122)176-107)194-99-51(115-29(6)134)66(149)85(39(16-125)180-99)189-104-77(160)71(154)56(139)33(10-119)173-104/h24,32-110,118-129,137-166H,9-23H2,1-8H3,(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)/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-,101-,102+,103-,104-,105-,106-,107-,108-,109-,110+/m0/s1