Complex glycan structure

Cross-references

GlyTouCan : G00797ZX

GlyGen : G00797ZX

ChEBI : 146113

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Composition

Hex:8 HexNAc:5 dHex:4

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p)--4b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

LFucpa1-2DGalpb1-4DGlcpNAcb1-2[DGalpa1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGalpa1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-2DManpa1-6]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[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)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[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)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[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

MIPUDYABJZXMRC-XPUZUGSUSA-N

InCHI

InChI=1S/C112H187N5O82/c1-23-50(134)66(150)74(158)101(169-23)167-22-44-87(61(145)45(96(166)173-44)113-27(5)129)187-98-46(114-28(6)130)62(146)82(38(16-124)180-98)188-107-81(165)88(60(144)43(185-107)21-168-108-91(72(156)56(140)34(12-120)176-108)195-99-48(116-30(8)132)65(149)85(41(19-127)182-99)191-112-95(199-104-77(161)69(153)53(137)26(4)172-104)90(59(143)37(15-123)179-112)194-106-79(163)71(155)55(139)33(11-119)175-106)192-110-93(196-100-49(117-31(9)133)64(148)83(39(17-125)183-100)189-109-92(73(157)57(141)35(13-121)177-109)197-102-75(159)67(151)51(135)24(2)170-102)80(164)86(42(20-128)184-110)186-97-47(115-29(7)131)63(147)84(40(18-126)181-97)190-111-94(198-103-76(160)68(152)52(136)25(3)171-103)89(58(142)36(14-122)178-111)193-105-78(162)70(154)54(138)32(10-118)174-105/h23-26,32-112,118-128,134-166H,10-22H2,1-9H3,(H,113,129)(H,114,130)(H,115,131)(H,116,132)(H,117,133)/t23-,24-,25-,26-,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+,111-,112-/m0/s1