Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 10:54:05 UTC
Update Date2022-08-31 06:47:07 UTC
Metabolite IDMMDBc0020749
Metabolite Identification
Common NameNitracidomycin A
DescriptionNitracidomycin A belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. Nitracidomycin A is a moderately basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC11H20N2O6
Average Mass276.289
Monoisotopic Mass276.132136372
IUPAC Name1-{[(1S,2R,3R)-1-carboxy-2-hydroxy-1,4-dimethylpentan-3-yl]-C-hydroxycarbonimidoyl}-N-methoxymethanimine oxide
Traditional Name1-{[(1S,2R,3R)-1-carboxy-2-hydroxy-1,4-dimethylpentan-3-yl]-C-hydroxycarbonimidoyl}-N-methoxymethanimine oxide
CAS Registry NumberNot Available
SMILES
[H]C(C(O)=N[C@]([H])(C(C)C)[C@]([H])(O)[C@]([H])(C)C(O)=O)=N(=O)OC
InChI Identifier
InChI=1S/C11H20N2O6/c1-6(2)9(10(15)7(3)11(16)17)12-8(14)5-13(18)19-4/h5-7,9-10,15H,1-4H3,(H,12,14)(H,16,17)/b13-5+/t7-,9+,10+/m0/s1
InChI KeyGMJHMZVGDYXZRQ-TYDGNEIFSA-N