N-acetyl-9-O-acetylneuraminate (Q27104020)

25 May 2022

mass

350.109±0 dalton

1 reference

N,9-O-Diacetylneuraminate (English)

5 October 2016

chemical formula

C₁₃H₂₀NO₁₀⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)O)(C(=O)[O-])O)O

1 reference

N,9-O-Diacetylneuraminate (English)

5 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)[O-])O)O

1 reference

N,9-O-Diacetylneuraminate (English)

InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/p-1/t7-,8+,9+,10+,11+,13-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

N,9-O-Diacetylneuraminate (English)

NYWZBRWKDRMPAS-GRRZBWEESA-M

5 October 2016

InChIKey

2 references

N,9-O-Diacetylneuraminate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6R)-5-Acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-alpha-L-threo-hex-2-ulopyranosonate (English)

5 October 2016

1 reference

N,9-O-Diacetylneuraminate (English)

5 October 2016

ChEBI ID

28999

mapping relation type

1 reference

N-acetyl-9-O-acetylneuraminate (English)