Complex glycan structure

Cross-references

GlyTouCan : G56271TF

GlyGen : G56271TF

ChEBI : 151432

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Composition

Hex:3 HexNAc:4 Su:1

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IUPAC

HSO3(-4)GalNAc(b1-4)GlcNAc(b1-2)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
10s:n-acetyl
11s:sulfate
12b: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
9:9d(2+1)10n
10:9o(4+1)11n
11:5o(6+1)12d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-GalNAc,p--4?1S)--6a1D-Man,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAc[4S]b1-4DGlcpNAcb1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)OS(=O)(=O)O)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

SGJCTRDDBPNSIV-SONAFDPJSA-N

InCHI

InChI=1S/C50H84N4O39S/c1-12(61)51-23-30(68)38(18(7-57)81-44(23)76)88-45-24(52-13(2)62)32(70)40(20(9-59)84-45)90-49-37(75)42(29(67)22(87-49)11-80-48-36(74)34(72)27(65)16(5-55)82-48)91-50-43(35(73)28(66)17(6-56)83-50)92-47-25(53-14(3)63)31(69)39(19(8-58)85-47)89-46-26(54-15(4)64)33(71)41(21(10-60)86-46)93-94(77,78)79/h16-50,55-60,65-76H,5-11H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,77,78,79)/t16-,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+,50-/m1/s1