(Q27131180)

Galbeta1-3(glcnacbeta1-6)galnac (English)

beta-D-GlcpNAc-(1->6)-[beta-D-Galp-(1->3)]-beta-D-GalpNAc

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

beta-D-Galp-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc

inferred from InChI

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₂H₃₈N₂O₁₆

1 reference

Galbeta1-3(glcnacbeta1-6)galnac (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)O)NC(=O)C)OC3C(C(C(C(O3)CO)O)O)O)O)CO)O)O

1 reference

Galbeta1-3(glcnacbeta1-6)galnac (English)

7 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)CO)O)O

1 reference

Galbeta1-3(glcnacbeta1-6)galnac (English)

InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)13(29)8(3-25)38-21(11)36-5-10-15(31)19(12(20(35)37-10)24-7(2)28)40-22-18(34)17(33)14(30)9(4-26)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20?,21-,22+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

Galbeta1-3(glcnacbeta1-6)galnac (English)

AULDNGHDBFNGGC-OQRWUEFASA-N

7 October 2016

InChIKey

2 references

Galbeta1-3(glcnacbeta1-6)galnac (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galactopyranose (English)

7 October 2016

1 reference

Galbeta1-3(glcnacbeta1-6)galnac (English)

7 October 2016

Reaxys registry number

10228646

1 reference

beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-D-GalNAc (English)

7 October 2016

ChEBI ID

61581

mapping relation type

1 reference