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CHEBI:142732 - rifamycin SV hemiaminal

ChEBI IDCHEBI:142732
ChEBI Namerifamycin SV hemiaminal
Stars
DefinitionA member of the class of rifamycins that is rifamycin SV in which the enol hydroxy group at position 6 has undergone tautomerisation to the corresponding ketone, with concomitant hydroxylation at position 7 (where the lactam nitrogen is attached) to give the corresponding hemiaminal.
Last Modified4 December 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H47NO13
Net Charge0
Average Mass713.777
Monoisotopic Mass713.30474
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)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,28-,29+,31+,36-,37?/m0/s1
InChIKeyHUFKGEYPPQXDFN-PYQVGWJQSA-N
ChEBI Ontology
Outgoing Relation(s)
rifamycin SV hemiaminal (CHEBI:142732) has functional parent rifamycin SV (CHEBI:29673)
rifamycin SV hemiaminal (CHEBI:142732) is a N-acyl hemiaminal (CHEBI:142734)
rifamycin SV hemiaminal (CHEBI:142732) is a acetate ester (CHEBI:47622)
rifamycin SV hemiaminal (CHEBI:142732) is a aromatic ketone (CHEBI:76224)
rifamycin SV hemiaminal (CHEBI:142732) is a cyclic ketal (CHEBI:59779)
rifamycin SV hemiaminal (CHEBI:142732) is a enol (CHEBI:33823)
rifamycin SV hemiaminal (CHEBI:142732) is a lactam (CHEBI:24995)
rifamycin SV hemiaminal (CHEBI:142732) is a macrocycle (CHEBI:51026)
rifamycin SV hemiaminal (CHEBI:142732) is a naphthofuran (CHEBI:39270)
rifamycin SV hemiaminal (CHEBI:142732) is a organic heterotetracyclic compound (CHEBI:38163)
rifamycin SV hemiaminal (CHEBI:142732) is a rifamycins (CHEBI:26580)
rifamycin SV hemiaminal (CHEBI:142732) is conjugate acid of rifamycin SV hemiaminal(1−) (CHEBI:142726)
Incoming Relation(s)
rifamycin SV hemiaminal(1−) (CHEBI:142726) is conjugate base of rifamycin SV hemiaminal (CHEBI:142732)
IUPAC Name 
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,7,9,17,19-pentahydroxy-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-21-yl acetate
Citations