Complex glycan structure

Cross-references

GlyTouCan : G07995VK

GlyGen : G07995VK

ChEBI : 147254

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Composition

Hex:5 HexNAc:4 NeuAc:1

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--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)O)O)O)O)NC(=O)C)O)CO)O)O)CO)CO)O)O

InCHI key

DBTRHOFNWDJOBD-JKJNHGMESA-N

InCHI

InChI=1S/C73H121N5O54/c1-17(88)74-33-22(93)6-73(72(112)113,131-58(33)38(95)23(94)7-79)132-60-42(99)27(11-83)117-69(53(60)110)127-57-31(15-87)121-65(36(47(57)104)77-20(4)91)129-61-49(106)40(97)25(9-81)118-70(61)114-16-32-43(100)59(52(109)68(123-32)126-56-30(14-86)120-64(35(45(56)102)76-19(3)90)124-54-28(12-84)115-63(111)34(44(54)101)75-18(2)89)128-71-62(50(107)41(98)26(10-82)119-71)130-66-37(78-21(5)92)46(103)55(29(13-85)122-66)125-67-51(108)48(105)39(96)24(8-80)116-67/h22-71,79-87,93-111H,6-16H2,1-5H3,(H,74,88)(H,75,89)(H,76,90)(H,77,91)(H,78,92)(H,112,113)/t22-,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+,64-,65-,66-,67-,68-,69-,70-,71+,73-/m0/s1