Core 2 glycan structure

Cross-references

GlyTouCan : G17280PS

GlyGen : G17280PS

ChEBI : -

---

Composition

Hex:3 HexNAc:2 dHex:2

---

IUPAC

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

GlycoCT

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

GWS

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

Glycam

DGalpa1-4[LFucpa1-2]DGalpb1-3[LFucpa1-2]DGalpb1-3[DGlcpNAcb1-6]DGalpNAca1-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]([C@H](O[C@H]([C@@H]3O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)NC(=O)C)CO)O)CO)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)O)O

InCHI key

YSMMRYWPFCXZIW-RARKOFHBSA-N

InCHI

InChI=1S/C46H78N2O34/c1-10-21(55)28(62)31(65)42(71-10)81-38-34(68)35(78-44-33(67)30(64)24(58)15(6-50)75-44)17(8-52)77-45(38)80-37-25(59)16(7-51)76-46(39(37)82-43-32(66)29(63)22(56)11(2)72-43)79-36-20(48-13(4)54)40(69)73-18(26(36)60)9-70-41-19(47-12(3)53)27(61)23(57)14(5-49)74-41/h10-11,14-46,49-52,55-69H,5-9H2,1-4H3,(H,47,53)(H,48,54)/t10-,11-,14+,15+,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-/m0/s1