Complex glycan structure

Cross-references

GlyTouCan : G61707PW

GlyGen : G61707PW

ChEBI : 152385

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Composition

Hex:9 HexNAc:5 dHex:1

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IUPAC

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

GWS

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

Glycam

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

InCHI key

JZHZKNUOCOUKAS-MWTKCIACSA-N

InCHI

InChI=1S/C100H167N5O75/c1-21-46(122)61(137)67(143)91(155-21)153-20-40-79(56(132)41(86(151)156-40)101-22(2)117)170-88-43(103-24(4)119)58(134)78(35(15-114)165-88)174-98-74(150)83(178-100-85(65(141)50(126)30(10-109)163-100)180-90-45(105-26(6)121)60(136)77(37(17-116)167-90)173-97-73(149)82(54(130)33(13-112)162-97)177-94-70(146)64(140)49(125)29(9-108)159-94)55(131)39(168-98)19-154-99-84(179-89-44(104-25(5)120)59(135)76(36(16-115)166-89)172-96-72(148)81(53(129)32(12-111)161-96)176-93-69(145)63(139)48(124)28(8-107)158-93)66(142)51(127)38(169-99)18-152-87-42(102-23(3)118)57(133)75(34(14-113)164-87)171-95-71(147)80(52(128)31(11-110)160-95)175-92-68(144)62(138)47(123)27(7-106)157-92/h21,27-100,106-116,122-151H,7-20H2,1-6H3,(H,101,117)(H,102,118)(H,103,119)(H,104,120)(H,105,121)/t21-,27+,28+,29+,30+,31+,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+/m0/s1