Core 1 glycan structure

Cross-references

GlyTouCan : G34168KI

GlyGen : G34168KI

ChEBI : 149415

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Composition

Hex:3 HexNAc:3 dHex:2

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IUPAC

Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-HEX-1:5
7b:a-lgal-HEX-1:5|6:d
8b:b-dglc-HEX-1:5
9s:n-acetyl
10b:b-dgal-HEX-1:5
11b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(3+1)6d
6:6o(2+1)7d
7:3o(6+1)8d
8:8d(2+1)9n
9:8o(4+1)10d
10:10o(2+1)11d

GWS

freeEnd--?a1D-GalNAc,p--3b1D-Gal,p(--3b1D-GlcNAc,p--3b1D-Gal,p--2a1L-Fuc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

LFucpa1-2DGalpb1-3DGlcpNAcb1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-6]DGalpb1-3DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO)O)NC(=O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)O)CO)CO)O)O)O)O)O

InCHI key

YTFCEGRDKNQSSE-NXFLFUCHSA-N

InCHI

InChI=1S/C54H91N3O39/c1-12-26(66)34(74)38(78)50(83-12)95-45-36(76)28(68)17(6-58)87-53(45)91-41-21(10-62)89-48(23(33(41)73)55-14(3)63)82-11-22-32(72)44(40(80)52(90-22)92-42-24(56-15(4)64)47(81)85-19(8-60)30(42)70)94-49-25(57-16(5)65)43(31(71)20(9-61)86-49)93-54-46(37(77)29(69)18(7-59)88-54)96-51-39(79)35(75)27(67)13(2)84-51/h12-13,17-54,58-62,66-81H,6-11H2,1-5H3,(H,55,63)(H,56,64)(H,57,65)/t12-,13-,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-,51-,52-,53-,54-/m0/s1