Complex glycan structure

Cross-references

GlyTouCan : G85208SY

GlyGen : G85208SY

ChEBI : 155044

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Composition

Hex:9 HexNAc:5

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IUPAC

Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]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-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:b-dgal-HEX-1:5
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19b: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(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

GWS

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

Glycam

DGalpb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGalpb1-3DGalpb1-4DGlcpNAcb1-2[DGalpb1-3DGalpb1-4DGlcpNAcb1-6]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[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)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[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

InCHI key

LQBDVTYGRHESMS-GETWLNKRSA-N

InCHI

InChI=1S/C94H157N5O71/c1-20(112)95-39-53(126)70(32(13-107)146-81(39)143)160-83-41(97-22(3)114)55(128)74(34(15-109)155-83)164-92-69(142)78(168-94-80(61(134)47(120)28(9-103)153-94)170-85-43(99-24(5)116)57(130)73(36(17-111)157-85)163-91-68(141)77(51(124)31(12-106)152-91)167-88-65(138)60(133)46(119)27(8-102)149-88)52(125)38(158-92)19-145-93-79(169-84-42(98-23(4)115)56(129)72(35(16-110)156-84)162-90-67(140)76(50(123)30(11-105)151-90)166-87-64(137)59(132)45(118)26(7-101)148-87)62(135)48(121)37(159-93)18-144-82-40(96-21(2)113)54(127)71(33(14-108)154-82)161-89-66(139)75(49(122)29(10-104)150-89)165-86-63(136)58(131)44(117)25(6-100)147-86/h25-94,100-111,117-143H,6-19H2,1-5H3,(H,95,112)(H,96,113)(H,97,114)(H,98,115)(H,99,116)/t25-,26-,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-/m1/s1