Complex glycan structure

Cross-references

GlyTouCan : G81326IN

GlyGen : G81326IN

ChEBI : 154008

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Composition

Hex:7 HexNAc:7 dHex:3

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)][GlcNAc(b1-4)]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:a-dman-HEX-1:5
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:a-lgal-HEX-1:5|6:d
19b:b-dgal-HEX-1:5
20b:b-dglc-HEX-1:5
21s:n-acetyl
22b:a-lgal-HEX-1:5|6:d
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
9:6o(4+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:5o(4+1)13d
13:13d(2+1)14n
14:5o(6+1)15d
15:15o(2+1)16d
16:16d(2+1)17n
17:16o(3+1)18d
18:16o(4+1)19d
19:15o(6+1)20d
20:20d(2+1)21n
21:20o(3+1)22d
22:20o(4+1)23d
23:1o(6+1)24d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-4][DGalpb1-4[LFucpa1-3]DGlcpNAcb1-2[DGalpb1-4[LFucpa1-3]DGlcpNAcb1-6]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)O)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)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)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)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

XRSUZSIVJINNTO-IDRWDARPSA-N

InCHI

InChI=1S/C116H193N7O83/c1-25-56(142)70(156)78(164)107(177-25)175-23-47-91(66(152)49(100(173)180-47)117-28(4)135)195-104-52(120-31(7)138)68(154)89(42(18-131)188-104)198-114-86(172)97(204-116-99(206-105-53(121-32(8)139)69(155)88(41(17-130)189-105)197-111-82(168)74(160)61(147)37(13-126)183-111)85(171)90(43(19-132)191-116)194-103-51(119-30(6)137)67(153)87(40(16-129)187-103)196-110-81(167)73(159)60(146)36(12-125)182-110)94(199-102-50(118-29(5)136)65(151)59(145)35(11-124)181-102)48(193-114)24-176-115-98(205-106-55(123-34(10)141)96(203-109-80(166)72(158)58(144)27(3)179-109)93(45(21-134)190-106)201-113-84(170)76(162)63(149)39(15-128)185-113)77(163)64(150)46(192-115)22-174-101-54(122-33(9)140)95(202-108-79(165)71(157)57(143)26(2)178-108)92(44(20-133)186-101)200-112-83(169)75(161)62(148)38(14-127)184-112/h25-27,35-116,124-134,142-173H,11-24H2,1-10H3,(H,117,135)(H,118,136)(H,119,137)(H,120,138)(H,121,139)(H,122,140)(H,123,141)/t25-,26-,27-,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