Complex glycan structure

Cross-references

GlyTouCan : G60963AS

GlyGen : G60963AS

ChEBI : 152263

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Composition

Hex:4 HexNAc:9 dHex:1

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IUPAC

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

GWS

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

Glycam

DGalpNAcb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGalpNAcb1-4DGlcpNAcb1-2[DGalpNAcb1-4DGlcpNAcb1-6]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)NC(=O)C)O)NC(=O)C)O)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)NC(=O)C)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)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

DAXOZVJJGXJYIN-XKUMTCFMSA-N

InCHI

InChI=1S/C102H169N9O70/c1-24-56(131)72(147)75(150)98(158-24)156-23-46-85(66(141)47(89(154)159-46)103-25(2)122)176-95-53(109-31(8)128)71(146)83(42(19-120)166-95)178-100-78(153)86(179-102-88(181-97-55(111-33(10)130)69(144)81(40(17-118)168-97)174-93-50(106-28(5)125)65(140)59(134)36(13-114)162-93)77(152)84(43(20-121)169-102)175-94-52(108-30(7)127)70(145)82(41(18-119)165-94)177-99-76(151)73(148)60(135)37(14-115)163-99)62(137)45(170-100)22-157-101-87(180-96-54(110-32(9)129)68(143)80(39(16-117)167-96)173-92-49(105-27(4)124)64(139)58(133)35(12-113)161-92)74(149)61(136)44(171-101)21-155-90-51(107-29(6)126)67(142)79(38(15-116)164-90)172-91-48(104-26(3)123)63(138)57(132)34(11-112)160-91/h24,34-102,112-121,131-154H,11-23H2,1-10H3,(H,103,122)(H,104,123)(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,130)/t24-,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+/m0/s1