ethyl N-acetylneuraminate (Q27131750)

ethyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate (English)

7 October 2016

chemical formula

C₁₃H₂₃NO₉

1 reference

ethyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate (English)

7 October 2016

canonical SMILES

CCOC(=O)C1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)O

1 reference

ethyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate (English)

7 October 2016

isomeric SMILES

CCOC(=O)C1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)O

1 reference

ethyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate (English)

InChI=1S/C13H23NO9/c1-3-22-12(20)13(21)4-7(17)9(14-6(2)16)11(23-13)10(19)8(18)5-15/h7-11,15,17-19,21H,3-5H2,1-2H3,(H,14,16)/t7-,8+,9+,10+,11+,13?/m0/s1

7 October 2016

Identifiers

InChI

1 reference

ethyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate (English)

BUPUCDUZUNSEOP-CHNADMEASA-N

7 October 2016

InChIKey

2 references

ethyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Ethyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonate (English)

7 October 2016

2 references

ethyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate (English)

matched by identifier from

7 October 2016

InChIKey

BUPUCDUZUNSEOP-CHNADMEASA-N

Reaxys registry number

15845638

1 reference

ethyl N-acetylneuraminate (English)

7 October 2016

ChEBI ID

62290

mapping relation type

2 references

ethyl N-acetylneuraminate (English)