5a-formylbicyclomycin (Q27460209)

5A-FORMYLBICYCLOMYCIN (English)

19 October 2016

chemical formula

C₁₃H₁₈N₂O₈

1 reference

5A-FORMYLBICYCLOMYCIN (English)

19 October 2016

canonical SMILES

CC(CO)(C(C12C(=O)NC(C(=CC=O)CCO1)(C(=O)N2)O)O)O

1 reference

5A-FORMYLBICYCLOMYCIN (English)

19 October 2016

isomeric SMILES

C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](/C(=C\C=O)/CCO1)(C(=O)N2)O)O)O

1 reference

5A-FORMYLBICYCLOMYCIN (English)

InChI=1S/C13H18N2O8/c1-11(21,6-17)8(18)13-10(20)14-12(22,9(19)15-13)7(2-4-16)3-5-23-13/h2,4,8,17-18,21-22H,3,5-6H2,1H3,(H,14,20)(H,15,19)/b7-2-/t8-,11-,12+,13-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

5A-FORMYLBICYCLOMYCIN (English)

OWCIDQJNPLMOMK-QQMRGYPNSA-N

19 October 2016

InChIKey

1 reference

5A-FORMYLBICYCLOMYCIN (English)

19 October 2016

1 reference

(2Z)-{(1S,6R)-6-Hydroxy-8,10-dioxo-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]dec-5-ylidene}acetaldehyde (English)

19 October 2016

2 references

5A-FORMYLBICYCLOMYCIN (English)

matched by identifier from

19 October 2016

InChIKey

OWCIDQJNPLMOMK-QQMRGYPNSA-N

1 reference

0 references

1 reference

1XPR (English)