(Q27124067)

N-Acetylgalactosaminitol (English)

N-acetyl-D-glucosaminitol

6 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₈H₁₇NO₆

1 reference

N-Acetylgalactosaminitol (English)

6 October 2016

canonical SMILES

CC(=O)NC(CO)C(C(C(CO)O)O)O

1 reference

N-Acetylgalactosaminitol (English)

6 October 2016

isomeric SMILES

CC(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](CO)O)O)O

1 reference

N-Acetylgalactosaminitol (English)

InChI=1S/C8H17NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h5-8,10-11,13-15H,2-3H2,1H3,(H,9,12)/t5-,6+,7+,8-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

N-Acetylgalactosaminitol (English)

DWAICOVNOFPYLS-OSMVPFSASA-N

6 October 2016

InChIKey

2 references

N-Acetylgalactosaminitol (English)

6 October 2016

stated in

ChEBI release 2020-09-01

2 references

N-acetyl-D-galactosaminitol (English)

DWAICOVNOFPYLS-OSMVPFSASA-N

6 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=10486-91-6

1 reference

2-Acetamido-2-deoxy-D-galactitol (English)

6 October 2016

1 reference

N-Acetylgalactosaminitol (English)

6 October 2016

Reaxys registry number

1727006

1 reference

N-acetyl-D-galactosaminitol (English)

6 October 2016

ChEBI ID

53480

mapping relation type

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

N-acetyl-D-galactosaminitol (English)

6 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

118701