neopikromycin(1+)
An organic cation obtained by protonation of the tertiary amino function of neopikromycin; major species at pH 7.3.
Exact Synonyms
(3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranoside
Related Synonyms
neopikromycin
class Information
charge
+1
formula
C28H48NO8
has_dbxref
- MetaCyc:CPD-15997
- PMID:16724858
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/p+1/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1
inchikey
SXXXXTQMWPXIES-VJNSTPMQSA-O
in_subset
mass
526.68210
monoisotopicmass
526.33744
smiles
C[C@@H](O)[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C
class Relations
Subclass of
Related from
is conjugate base of