(Q27133697)

[3OSO3]Galbeta1-3GalNAcalpha (English)

beta-D-Galp3S-(1->3-)-beta-D-GlcpNAc

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₅NO₁₄S

1 reference

[3OSO3]Galbeta1-3GalNAcalpha (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)CO)O)OS(=O)(=O)O)O

1 reference

[3OSO3]Galbeta1-3GalNAcalpha (English)

7 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OS(=O)(=O)O)O

1 reference

[3OSO3]Galbeta1-3GalNAcalpha (English)

InChI=1S/C14H25NO14S/c1-4(18)15-7-11(8(19)5(2-16)26-13(7)22)28-14-10(21)12(29-30(23,24)25)9(20)6(3-17)27-14/h5-14,16-17,19-22H,2-3H2,1H3,(H,15,18)(H,23,24,25)/t5-,6-,7-,8+,9+,10-,11-,12+,13+,14+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

[3OSO3]Galbeta1-3GalNAcalpha (English)

JWSDQIUWYOEXRI-DFCCJNKBSA-N

7 October 2016

InChIKey

2 references

[3OSO3]Galbeta1-3GalNAcalpha (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-2-deoxy-3-O-(3-O-sulfo-beta-D-galactopyranosyl)-alpha-D-galactopyranose (English)

7 October 2016

2 references

[3OSO3]Galbeta1-3GalNAcalpha (English)

matched by identifier from

7 October 2016

InChIKey

JWSDQIUWYOEXRI-DFCCJNKBSA-N

ChEBI ID

65150

mapping relation type

2 references

beta-D-Galp3S-(1->3-)-alpha-D-GalpNAc (English)