Complex glycan structure

Cross-references

GlyTouCan : G46449AK

GlyGen : G46449AK

ChEBI : 151173

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Composition

Hex:8 HexNAc:7

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IUPAC

Gal(b1-4)GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)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:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17b:b-dglc-HEX-1:5
18s:n-acetyl
19b:b-dgal-HEX-1:5
20b:b-dglc-HEX-1:5
21s:n-acetyl
22b:b-dgal-HEX-1:5
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(4+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:6o(6+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16o(3+1)17d
17:17d(2+1)18n
18:17o(4+1)19d
19:13o(6+1)20d
20:20d(2+1)21n
21:20o(4+1)22d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-4[DGalpb1-4DGlcpNAcb1-6]DManpa1-3[DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-6]DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[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[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)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)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[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[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)O)O)NC(=O)C)O

InCHI key

XAHVMVYWBFIYMS-YURPOHNBSA-N

InCHI

InChI=1S/C104H173N7O76/c1-23(124)105-45-59(138)79(35(13-117)162-90(45)158)177-93-48(108-26(4)127)63(142)85(40(18-122)170-93)184-103-78(157)88(186-101-76(155)71(150)86(178-94-49(109-27(5)128)62(141)82(38(16-120)171-94)181-99-74(153)68(147)54(133)32(10-114)165-99)44(176-101)22-160-92-47(107-25(3)126)61(140)81(37(15-119)169-92)180-98-73(152)67(146)53(132)31(9-113)164-98)58(137)43(174-103)21-161-104-89(70(149)56(135)42(175-104)20-159-91-46(106-24(2)125)60(139)80(36(14-118)168-91)179-97-72(151)66(145)52(131)30(8-112)163-97)187-96-51(111-29(7)130)65(144)84(41(19-123)173-96)183-102-77(156)87(57(136)34(12-116)167-102)185-95-50(110-28(6)129)64(143)83(39(17-121)172-95)182-100-75(154)69(148)55(134)33(11-115)166-100/h30-104,112-123,131-158H,8-22H2,1-7H3,(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,130)/t30-,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+,101-,102+,103+,104+/m1/s1