Complex glycan structure

Cross-references

GlyTouCan : G19726AG

GlyGen : G19726AG

ChEBI : 148211

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Composition

Hex:6 HexNAc:5 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(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-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dgal-HEX-1:5
15b:a-dman-HEX-1:5
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19b: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(6+2)10d
10:10d(5+1)11n
11:6o(4+1)12d
12:12d(2+1)13n
13:12o(4+1)14d
14:5o(6+1)15d
15:15o(2+1)16d
16:16d(2+1)17n
17:16o(4+1)18d
18:1o(6+1)19d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

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)O)O)NC(=O)C)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[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[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

RCMNBSLCGBSFFD-KZXHJFKLSA-N

InCHI

InChI=1S/C93H154N6O68/c1-21-47(117)59(129)64(134)85(146-21)143-19-40-75(54(124)42(80(140)147-40)95-23(3)110)159-82-44(97-25(5)112)56(126)73(36(16-107)152-82)163-89-69(139)77(53(123)38(156-89)18-144-90-78(63(133)51(121)32(12-103)150-90)165-83-45(98-26(6)113)57(127)71(34(14-105)153-83)161-87-66(136)61(131)50(120)31(11-102)149-87)164-91-79(68(138)74(37(17-108)155-91)158-81-43(96-24(4)111)55(125)70(33(13-104)151-81)160-86-65(135)60(130)49(119)30(10-101)148-86)166-84-46(99-27(7)114)58(128)72(35(15-106)154-84)162-88-67(137)62(132)52(122)39(157-88)20-145-93(92(141)142)8-28(115)41(94-22(2)109)76(167-93)48(118)29(116)9-100/h21,28-91,100-108,115-140H,8-20H2,1-7H3,(H,94,109)(H,95,110)(H,96,111)(H,97,112)(H,98,113)(H,99,114)(H,141,142)/t21-,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+,93+/m0/s1