(Q27126038)

N-acetyl-alpha-neuraminate (English)

N-acetyl-beta-neuraminate

6 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₁H₁₈NO₉⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

N-acetyl-alpha-neuraminate (English)

6 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)O

1 reference

N-acetyl-alpha-neuraminate (English)

InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,7+,8+,9+,11+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

N-acetyl-alpha-neuraminate (English)

SQVRNKJHWKZAKO-YRMXFSIDSA-M

6 October 2016

InChIKey

2 references

N-acetyl-alpha-neuraminate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-Acetyl-alpha-neuraminate (English)

6 October 2016

2 references

N-acetyl-alpha-neuraminate (English)

matched by identifier from

6 October 2016

InChIKey

SQVRNKJHWKZAKO-YRMXFSIDSA-M

Reaxys registry number

5305673

1 reference

N-acetyl-alpha-neuraminate (English)

6 October 2016

ChEBI ID

58770

mapping relation type

2 references

N-acetyl-alpha-neuraminate (English)