Structure

Cross-references

GlyTouCan : G84467IZ

GlyGen : G84467IZ

ChEBI : 72005

UniCarb-DB :

• 378
• 569
• 593
• 616
• 2258
• 2551

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Composition

Hex:5 HexNAc:4 NeuAc:2

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IUPAC

NeuAc(a2-6)Gal(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
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: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
9:9o(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(6+2)16d
16:16d(5+1)17n

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--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[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)CO)O)O)CO)O)O)O)O

InCHI key

ZHYGTQWNPCLWIP-RLYLNQAISA-N

InCHI

InChI=1S/C84H138N6O62/c1-20(99)85-39-26(105)7-83(81(128)129,151-67(39)45(109)28(107)9-91)133-18-37-49(113)56(120)60(124)76(142-37)145-64-33(14-96)139-74(43(54(64)118)89-24(5)103)149-70-58(122)47(111)30(11-93)136-79(70)132-17-36-51(115)69(62(126)78(141-36)147-66-35(16-98)138-73(42(53(66)117)88-23(4)102)144-63-32(13-95)135-72(127)41(52(63)116)87-22(3)101)148-80-71(59(123)48(112)31(12-94)137-80)150-75-44(90-25(6)104)55(119)65(34(15-97)140-75)146-77-61(125)57(121)50(114)38(143-77)19-134-84(82(130)131)8-27(106)40(86-21(2)100)68(152-84)46(110)29(108)10-92/h26-80,91-98,105-127H,7-19H2,1-6H3,(H,85,99)(H,86,100)(H,87,101)(H,88,102)(H,89,103)(H,90,104)(H,128,129)(H,130,131)/t26-,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+,83+,84+/m0/s1