Methylumbelliferyl Sialic Acid (Q27092920)

METHYLUMBELLIFERYL SIALIC ACID (English)

4-methyl-2-oxo-2H-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-L-erythro-non-2-ulopyranosidonic acid

4 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₅NO₁₁

1 reference

METHYLUMBELLIFERYL SIALIC ACID (English)

4 October 2016

canonical SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O

1 reference

METHYLUMBELLIFERYL SIALIC ACID (English)

4 October 2016

isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@]3(C[C@H]([C@@H]([C@H](O3)[C@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O

1 reference

METHYLUMBELLIFERYL SIALIC ACID (English)

InChI=1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/t13-,14-,17+,18+,19+,21-/m1/s1

4 October 2016

Identifiers

InChI

1 reference

METHYLUMBELLIFERYL SIALIC ACID (English)

KKDWIUJBUSOPGC-CJRKPKEDSA-N

4 October 2016

InChIKey

1 reference

METHYLUMBELLIFERYL SIALIC ACID (English)

4 October 2016

1 reference

4-Methyl-2-oxo-2H-chromen-7-yl (6S)-5-acetamido-3,5-dideoxy-6-[(2R)-1,2,3-trihydroxypropyl]-alpha-D-threo-hex-2-ulopyranosidonic acid (English)

4 October 2016

2 references

METHYLUMBELLIFERYL SIALIC ACID (English)

matched by identifier from

4 October 2016

InChIKey

KKDWIUJBUSOPGC-CJRKPKEDSA-N

1 reference

1 reference

Methylumbelliferyl Sialic Acid (English)