(Q27126624)

GalNAc-ChoP (English)

6 October 2016

chemical formula

C₁₃H₂₈N₂O₉P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)NC1C(C(C(OC1O)COP(=O)(O)OCC[N+](C)(C)C)O)O

1 reference

GalNAc-ChoP (English)

6 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COP(=O)(O)OCC[N+](C)(C)C)O)O

1 reference

GalNAc-ChoP (English)

InChI=1S/C13H27N2O9P/c1-8(16)14-10-12(18)11(17)9(24-13(10)19)7-23-25(20,21)22-6-5-15(2,3)4/h9-13,17-19H,5-7H2,1-4H3,(H-,14,16,20,21)/p+1/t9-,10-,11+,12-,13?/m1/s1

6 October 2016

Identifiers

InChI

1 reference

GalNAc-ChoP (English)

VGSHXNQBJVLXRV-HENWMNBSSA-O

6 October 2016

InChIKey

2 references

GalNAc-ChoP (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-2-deoxy-6-O-{hydroxy[2-(trimethylammonio)ethoxy]phosphoryl}-D-galactopyranose (English)

6 October 2016

1 reference

GalNAc-ChoP (English)

6 October 2016

ChEBI ID

59317

mapping relation type

1 reference

Immune Epitope Database and Analysis Resource

N-acetyl-D-galactosamine-6-phosphocholine (English)

6 October 2016

1 reference

1 reference

IEDB Epitope ID

141109