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rifamycin SV hemiaminal(1-)

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A phenolate anion resulting from the deporotonation of the phenolic hydroxy group of rifamycin SV hemiaminal. The major species at pH 7.3.

Term info

Label

rifamycin SV hemiaminal(1-)

Synonyms
  • (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetoxy-7,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,11-trioxo-1,2,6,7-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-olate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetoxy-7,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,11-trioxo-1,2,6,7-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-olate [ IUPAC ]

charge

-1

formula

C37H46NO13

has obo namespace

chebi_ontology

has related synonym

rifamycin SV hemiaminal

id

CHEBI:142726

inchi

InChI=1S/C37H47NO13/c1-16-11-10-12-17(2)35(46)38-37(47)15-23(40)25-26(34(37)45)30(43)21(6)32-27(25)33(44)36(8,51-32)49-14-13-24(48-9)18(3)31(50-22(7)39)20(5)29(42)19(4)28(16)41/h10-16,18-20,24,28-29,31,40-43,47H,1-9H3,(H,38,46)/p-1/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,28-,29+,31+,36-,37?/m0/s1

inchikey

HUFKGEYPPQXDFN-PYQVGWJQSA-M

mass

712.761

monoisotopicmass

712.29746

smiles

[C@H]1(C)[C@@H]([C@@H]([C@H](C=CO[C@]2(OC=3C(C2=O)=C4C(C(C(NC(C(=CC=C[C@H](C)[C@@H]([C@@H](C)[C@H]1O)O)C)=O)(C=C4O)O)=O)=C(C3C)[O-])C)OC)C)OC(=O)C