Complex glycan structure

Cross-references

GlyTouCan : G73977KO

GlyGen : G73977KO

ChEBI : 153626

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Composition

Hex:9 HexNAc:7 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]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: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-dman-HEX-1:5
20b:b-dglc-HEX-1:5
21s:n-acetyl
22b:b-dgal-HEX-1:5
23b:b-dgal-HEX-1:5
24b: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+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:12o(3+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
18:5o(6+1)19d
19:19o(2+1)20d
20:20d(2+1)21n
21:20o(4+1)22d
22:22o(3+1)23d
23:1o(6+1)24d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGalpb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-6]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)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)O)O)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)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@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@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@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)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

IZSZAZVIFVRXNO-SQVXWKGOSA-N

InCHI

InChI=1S/C116H193N7O85/c1-25-56(145)73(162)78(167)107(178-25)176-24-48-92(66(155)49(100(175)179-48)117-26(2)138)195-101-50(118-27(3)139)67(156)91(42(18-133)188-101)201-114-85(174)97(65(154)47(194-114)23-177-115-98(76(165)59(148)35(11-126)186-115)207-105-54(122-31(7)143)71(160)89(45(21-136)192-105)200-113-84(173)96(64(153)40(16-131)185-113)205-109-80(169)75(164)58(147)34(10-125)181-109)206-116-99(77(166)60(149)36(12-127)187-116)208-106-55(123-32(8)144)72(161)90(46(22-137)193-106)199-112-83(172)95(63(152)39(15-130)184-112)204-104-53(121-30(6)142)70(159)88(44(20-135)191-104)198-111-82(171)94(62(151)38(14-129)183-111)203-103-52(120-29(5)141)69(158)87(43(19-134)190-103)197-110-81(170)93(61(150)37(13-128)182-110)202-102-51(119-28(4)140)68(157)86(41(17-132)189-102)196-108-79(168)74(163)57(146)33(9-124)180-108/h25,33-116,124-137,145-175H,9-24H2,1-8H3,(H,117,138)(H,118,139)(H,119,140)(H,120,141)(H,121,142)(H,122,143)(H,123,144)/t25-,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-,111-,112-,113-,114-,115-,116+/m0/s1