Complex glycan structure

Cross-references

GlyTouCan : G13800FQ

GlyGen : G13800FQ

ChEBI : 147465

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Composition

Hex:4 HexNAc:2 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dman-HEX-1:5
4b:a-dman-HEX-1:5
5b:b-dglc-HEX-1:5
6s:n-acetyl
7b:b-dgal-HEX-1:5
8b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
9s:n-acetyl
10b:a-dman-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3o(3+1)4d
4:4o(2+1)5d
5:5d(2+1)6n
6:5o(4+1)7d
7:7o(6+2)8d
8:8d(5+1)9n
9:3o(6+1)10d

GWS

freeEnd--?b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1Man$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)CO)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)CO)O)O)CO)O)O)O)O

InCHI key

UWBGLADMELIKJR-SGJLAKPRSA-N

InCHI

InChI=1S/C51H85N3O39/c1-12(60)52-23-15(63)4-51(50(79)80,93-41(23)26(65)16(64)5-55)82-11-22-29(68)34(73)37(76)47(88-22)89-40-20(9-59)86-45(25(32(40)71)54-14(3)62)92-43-35(74)28(67)18(7-57)85-49(43)91-42-30(69)21(10-81-46-36(75)33(72)27(66)17(6-56)84-46)87-48(38(42)77)90-39-19(8-58)83-44(78)24(31(39)70)53-13(2)61/h15-49,55-59,63-78H,4-11H2,1-3H3,(H,52,60)(H,53,61)(H,54,62)(H,79,80)/t15-,16+,17+,18+,19+,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+,51+/m0/s1