Structure

Cross-references

GlyTouCan : G53962WT

GlyGen : G53962WT

ChEBI : 151774

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Composition

Hex:5 HexNAc:3 NeuAc:1

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-3)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:a-dman-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(3+2)10d
10:10d(5+1)11n
11:5o(6+1)12d
12:12o(3+1)13d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1Man--3a1Man$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]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[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)CO)O)O)CO)CO)O)O

InCHI key

GTNKEANROADMDX-KYJZKEGTSA-N

InCHI

InChI=1S/C65H108N4O49/c1-15(78)66-29-19(82)5-65(64(100)101,117-51(29)33(84)20(83)6-70)118-54-37(88)24(10-74)106-62(47(54)98)113-50-27(13-77)109-58(32(41(50)92)69-18(4)81)116-55-43(94)35(86)22(8-72)107-63(55)115-53-38(89)28(14-102-59-45(96)52(36(87)23(9-73)104-59)114-60-44(95)42(93)34(85)21(7-71)105-60)110-61(46(53)97)112-49-26(12-76)108-57(31(40(49)91)68-17(3)80)111-48-25(11-75)103-56(99)30(39(48)90)67-16(2)79/h19-63,70-77,82-99H,5-14H2,1-4H3,(H,66,78)(H,67,79)(H,68,80)(H,69,81)(H,100,101)/t19-,20+,21+,22+,23+,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+,65-/m0/s1