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CHEBI:84571 - rifamycin SV(1−)

ChEBI IDCHEBI:84571
ChEBI Namerifamycin SV(1−)
Stars
ASCII Namerifamycin SV(1-)
DefinitionA phenolate anion obtained by deprotonation of the 5-hydroxy group of rifamycin SV. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC37H46NO12
Net Charge-1
Average Mass696.770
Monoisotopic Mass696.30255
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=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
InChIInChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/p-1/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
InChIKeyHJYYPODYNSCCOU-ODRIEIDWSA-M
ChEBI Ontology
Outgoing Relation(s)
rifamycin SV(1−) (CHEBI:84571) is a phenolate anion (CHEBI:50525)
rifamycin SV(1−) (CHEBI:84571) is conjugate base of rifamycin SV (CHEBI:29673)
Incoming Relation(s)
rifamycin SV ortho-naphthoquinone carboxamide(2−) (CHEBI:142727) has functional parent rifamycin SV(1−) (CHEBI:84571)
rifamycin SV para-naphthoquinone carboxamide(2−) (CHEBI:142728) has functional parent rifamycin SV(1−) (CHEBI:84571)
rifamycin SV hemiaminal(1−) (CHEBI:142726) has functional parent rifamycin SV(1−) (CHEBI:84571)
rifamycin SV (CHEBI:29673) is conjugate acid of rifamycin SV(1−) (CHEBI:84571)
IUPAC Name 
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-olate
UniProt Name  Source
rifamycin SVUniProt
Manual XrefsDatabases
CPD-10236MetaCyc
Citations