Complex glycan structure

Cross-references

GlyTouCan : G36157OV

GlyGen : G36157OV

ChEBI : 150485

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Composition

Hex:6 HexNAc:4 NeuAc:1

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-Gal,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]4O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)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)CO[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)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)NC(=O)C)O)CO)O)O)CO)O)O)O)O

InCHI key

KICMNTFKZMBYPS-GRRQUUFRSA-N

InCHI

InChI=1S/C79H131N5O59/c1-18(94)80-35-23(99)6-79(78(121)122,143-63(35)40(101)24(100)7-85)124-17-34-44(105)52(113)56(117)73(134-34)136-60-30(13-91)132-71(39(49(60)110)84-22(5)98)142-67-54(115)43(104)27(10-88)129-77(67)140-65-46(107)33(133-75(58(65)119)138-62-31(14-92)130-69(37(48(62)109)82-20(3)96)135-59-29(12-90)125-68(120)36(47(59)108)81-19(2)95)16-123-76-66(53(114)42(103)26(9-87)128-76)141-70-38(83-21(4)97)50(111)61(32(15-93)131-70)137-74-57(118)64(45(106)28(11-89)127-74)139-72-55(116)51(112)41(102)25(8-86)126-72/h23-77,85-93,99-120H,6-17H2,1-5H3,(H,80,94)(H,81,95)(H,82,96)(H,83,97)(H,84,98)(H,121,122)/t23-,24+,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-,74-,75-,76-,77+,79+/m0/s1