Complex glycan structure

Cross-references

GlyTouCan : G24413UY

GlyGen : G24413UY

ChEBI : 148888

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Composition

Hex:4 HexNAc:5 NeuAc:1 Su:1

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IUPAC

HSO3(-4)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)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
10s:n-acetyl
11s:sulfate
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
17s:n-acetyl
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
10:9o(4+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15o(3+2)16d
16:16d(5+1)17n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-GalNAc,p--4?1S)--6a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)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)OS(=O)(=O)O)O)NC(=O)C)O)NC(=O)C)O)CO)O)O)CO)CO)O)O

InCHI key

AWTVOIQGISRAKS-BFDRXUTOSA-N

InCHI

InChI=1S/C75H124N6O57S/c1-18(91)76-35-24(97)7-75(74(114)115,136-60(35)41(99)25(98)8-82)137-62-44(102)28(11-85)121-71(54(62)112)132-58-32(15-89)126-68(39(49(58)107)80-22(5)95)134-63-51(109)42(100)26(9-83)122-72(63)119-17-34-45(103)61(53(111)70(128-34)131-57-31(14-88)124-66(37(48(57)106)78-20(3)93)129-55-29(12-86)120-65(113)36(46(55)104)77-19(2)92)133-73-64(52(110)43(101)27(10-84)123-73)135-69-38(79-21(4)94)47(105)56(30(13-87)125-69)130-67-40(81-23(6)96)50(108)59(33(16-90)127-67)138-139(116,117)118/h24-73,82-90,97-113H,7-17H2,1-6H3,(H,76,91)(H,77,92)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,114,115)(H,116,117,118)/t24-,25+,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+,75-/m0/s1