(Q27104239)

N,4-O-Diacetylneuraminate (English)

N-acetyl-4-O-acetylneuraminate

5 October 2016

conjugate base

0 references

chemical formula

C₁₃H₂₁NO₁₀

1 reference

N,4-O-Diacetylneuraminate (English)

5 October 2016

canonical SMILES

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OC(=O)C

1 reference

N,4-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](CO)O)O)(C(=O)O)O)OC(=O)C

1 reference

N,4-O-Diacetylneuraminate (English)

InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

N,4-O-Diacetylneuraminate (English)

LVBIMVQYUKOENY-XAGGSGLKSA-N

5 October 2016

InChIKey

2 references

N,4-O-Diacetylneuraminate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

(6R)-5-Acetamido-4-O-acetyl-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranosonic acid (English)

5 October 2016

1 reference

N,4-O-Diacetylneuraminate (English)

5 October 2016

ChEBI ID

32844

mapping relation type

1 reference