Core 4 glycan structure

Cross-references

GlyTouCan : G30296PK

GlyGen : G30296PK

ChEBI : -

---

Composition

Hex:2 HexNAc:3 dHex:2 NeuAc:1

---

IUPAC

NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:a-lgal-HEX-1:5|6:d
6b:b-dgal-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:a-lgal-HEX-1:5|6:d
10b:b-dgal-HEX-1:5
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(3+1)5d
5:3o(4+1)6d
6:1o(6+1)7d
7:7d(2+1)8n
8:7o(3+1)9d
9:7o(4+1)10d
10:10o(3+2)11d
11:11d(5+1)12n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OC[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)O)NC(=O)C)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)O)O)O)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O

InCHI key

LGDBWGUMXGMKBN-SPIBNUJMSA-N

InCHI

InChI=1S/C59H98N4O42/c1-14-31(75)37(81)40(84)54(92-14)102-48-29(62-18(5)71)52(97-24(11-67)44(48)100-57-43(87)50(35(79)23(10-66)96-57)105-59(58(89)90)7-20(73)27(60-16(3)69)47(104-59)33(77)21(74)8-64)91-13-26-36(80)46(28(51(88)94-26)61-17(4)70)101-53-30(63-19(6)72)49(103-55-41(85)38(82)32(76)15(2)93-55)45(25(12-68)98-53)99-56-42(86)39(83)34(78)22(9-65)95-56/h14-15,20-57,64-68,73-88H,7-13H2,1-6H3,(H,60,69)(H,61,70)(H,62,71)(H,63,72)(H,89,90)/t14-,15-,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-,55-,56-,57-,59-/m0/s1