No-core glycan structure

Cross-references

GlyTouCan : G97569KL

GlyGen : G97569KL

ChEBI : 62078

---

Composition

NeuAc:2

---

IUPAC

NeuAc(a2-8)NeuAc

GlycoCT

RES
1b:x-dgro-dgal-NON-2:6|1:a|2:keto|3:d
2s:n-acetyl
3b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
4s:n-acetyl
LIN
1:1d(5+1)2n
2:1o(8+2)3d
3:3d(5+1)4n

GWS

freeEnd--??2D-NeuAc,p--8a2D-NeuAc,p$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)O[C@H](CO)[C@H]([C@H]2[C@@H]([C@H](CC(O2)(C(=O)O)O)O)NC(=O)C)O)O

InCHI key

LWXBZLHHWJUOSV-LSLZQTMLSA-N

InCHI

InChI=1S/C22H36N2O17/c1-7(27)23-13-9(29)3-21(38,19(34)35)40-18(13)16(33)12(6-26)39-22(20(36)37)4-10(30)14(24-8(2)28)17(41-22)15(32)11(31)5-25/h9-18,25-26,29-33,38H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21?,22+/m0/s1