(Q27139731)

Neu5Acalpha2-3Galbeta1-3(6OSO3)GlcNAc (English)

7 October 2016

chemical formula

C₂₅H₄₂N₂O₂₂S

1 reference

Neu5Acalpha2-3Galbeta1-3(6OSO3)GlcNAc (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(C(OC(C3O)COS(=O)(=O)O)O)NC(=O)C)CO)O)O

1 reference

Neu5Acalpha2-3Galbeta1-3(6OSO3)GlcNAc (English)

7 October 2016

isomeric 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]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)COS(=O)(=O)O)O)CO)O)O

1 reference

Neu5Acalpha2-3Galbeta1-3(6OSO3)GlcNAc (English)

InChI=1S/C25H42N2O22S/c1-7(30)26-13-9(32)3-25(24(39)40,48-20(13)15(34)10(33)4-28)49-21-16(35)11(5-29)46-23(18(21)37)47-19-14(27-8(2)31)22(38)45-12(17(19)36)6-44-50(41,42)43/h9-23,28-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22?,23-,25-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

Neu5Acalpha2-3Galbeta1-3(6OSO3)GlcNAc (English)

HYRSALCAGYOCTO-DIZWBPKDSA-N

7 October 2016

InChIKey

2 references

Neu5Acalpha2-3Galbeta1-3(6OSO3)GlcNAc (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-6-O-sulfo-D-glucopyranose (English)

7 October 2016

1 reference