CHEBI:58306 - rifamycin B(2−)

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ChEBI Name rifamycin B(2−)
ChEBI ID CHEBI:58306
ChEBI ASCII Name rifamycin B(2-)
Definition A hydroxy monocarboxylic acid anion arising from deprotonation of the carboxy and 5-carboxy groups of rifamycin B; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H47NO14
Net Charge -2
Average Mass 753.78880
Monoisotopic Mass 753.30075
InChI InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/p-2/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1
InChIKey SQTCRTQCPJICLD-KTQDUKAHSA-L
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(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)cc(OCC([O-])=O)c4c3C2=O
ChEBI Ontology
Outgoing rifamycin B(2−) (CHEBI:58306) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
rifamycin B(2−) (CHEBI:58306) is conjugate base of rifamycin B (CHEBI:17876)
Incoming rifamycin B (CHEBI:17876) is conjugate acid of rifamycin B(2−) (CHEBI:58306)
IUPAC Name
{[(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetoxy-6,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-5-oxido-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl]oxy}acetate
Synonyms Sources
rifamycin B UniProt
rifamycin B dianion ChEBI
Last Modified
13 November 2017