Record Information
Version2.0
StatusDetected and Quantified
Creation Date2022-06-17 19:58:22 UTC
Update Date2025-10-07 16:09:10 UTC
Metabolite IDMMDBc0055537
Metabolite Identification
Common Name4-O-phosphohygromycin B
Description4-O-phosphohygromycin B is a phosphonic acid derivative and belongs to the class of antibiotics. There is limited literature available on this metabolite, indicating that further research may be necessary to fully understand its properties and potential applications.
Structure
Synonyms
ValueSource
4-O-Phosphohygromycin bChEBI
Molecular FormulaC20H39N3O16P
Average Mass608.51
Monoisotopic Mass608.206245606
IUPAC Name(1R,2S,3R,4R,5S)-3-[(2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-6'-(1-amino-2-hydroxyethyl)-6-(hydroxymethyl)-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetroloxy]-2-hydroxy-5-(methylamino)-4-(phosphonooxy)cyclohexan-1-aminium
Traditional Name(1R,2S,3R,4R,5S)-3-[(2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-6'-(1-amino-2-hydroxyethyl)-6-(hydroxymethyl)-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetroloxy]-2-hydroxy-5-(methylamino)-4-(phosphonooxy)cyclohexan-1-aminium
CAS Registry NumberNot Available
SMILES
[H]C(N)(CO)[C@@]1([H])O[C@@]2(O[C@]3([H])[C@]([H])(O2)[C@]([H])(O[C@]2([H])[C@@]([H])(O)[C@]([H])([NH3+])C[C@]([H])(NC)[C@@]2([H])OP(O)(O)=O)O[C@]([H])(CO)[C@]3([H])O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(26)15(14(7)39-40(31,32)33)35-19-17-16(10(27)8(4-25)34-19)37-20(38-17)18(30)12(29)11(28)13(36-20)6(22)3-24/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/p+1/t5-,6?,7+,8-,9+,10+,11-,12+,13-,14-,15-,16+,17+,18-,19+,20-/m1/s1
InChI KeySYTZKXOAVUXHFS-DMVNDESQSA-O