Complex glycan structure

Cross-references

GlyTouCan : G53985AY

GlyGen : G53985AY

ChEBI : 151777

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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(a2-6)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(6+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--6a2D-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)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)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)O)O)O)O

InCHI key

NVRBJHIMZRONMR-BXABXRFWSA-N

InCHI

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