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CHEBI:142726 - rifamycin SV hemiaminal(1−)

ChEBI IDCHEBI:142726
ChEBI Namerifamycin SV hemiaminal(1−)
Stars
ASCII Namerifamycin SV hemiaminal(1-)
DefinitionA phenolate anion resulting from the deporotonation of the phenolic hydroxy group of rifamycin SV hemiaminal. The major species at pH 7.3.
Last Modified3 August 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC37H46NO13
Net Charge-1
Average Mass712.769
Monoisotopic Mass712.29746
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(c3C2=O)C(O)=CC(O)(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
InChIInChI=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
InChIKeyHUFKGEYPPQXDFN-PYQVGWJQSA-M
ChEBI Ontology
Outgoing Relation(s)
rifamycin SV hemiaminal(1−) (CHEBI:142726) has functional parent rifamycin SV(1−) (CHEBI:84571)
rifamycin SV hemiaminal(1−) (CHEBI:142726) is a phenolate anion (CHEBI:50525)
rifamycin SV hemiaminal(1−) (CHEBI:142726) is conjugate base of rifamycin SV hemiaminal (CHEBI:142732)
Incoming Relation(s)
rifamycin SV hemiaminal (CHEBI:142732) is conjugate acid of rifamycin SV hemiaminal(1−) (CHEBI:142726)
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
UniProt Name  Source
rifamycin SV hemiaminalUniProt
Citations