neuraminate (Q27109885)

CHEBI:25505 (English)

5 October 2016

chemical formula

C₉H₁₆NO₈⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C(C(C(C(C(C(CO)O)O)O)N)O)C(=O)C(=O)[O-]

1 reference

CHEBI:25505 (English)

5 October 2016

isomeric SMILES

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

1 reference

CHEBI:25505 (English)

InChI=1S/C9H17NO8/c10-6(3(12)1-4(13)9(17)18)8(16)7(15)5(14)2-11/h3,5-8,11-12,14-16H,1-2,10H2,(H,17,18)/p-1/t3-,5+,6+,7+,8+/m0/s1

5 October 2016

Identifiers

InChI

1 reference

CHEBI:25505 (English)

BQINXKOTJQCISL-GRCPKETISA-M

5 October 2016

InChIKey

2 references

CHEBI:25505 (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4S,5R,6R,7S,8R)-5-Amino-4,6,7,8,9-pentahydroxy-2-oxononanoate (English)

5 October 2016

2 references

CHEBI:25505 (English)

matched by identifier from

5 October 2016

InChIKey

BQINXKOTJQCISL-GRCPKETISA-M

ChEBI ID

25505

mapping relation type

2 references

neuraminate (English)