EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142729 - rifampicin hemiaminal(2−)

ChEBI IDCHEBI:142729
ChEBI Namerifampicin hemiaminal(2−)
Stars
ASCII Namerifampicin hemiaminal(2-)
DefinitionMajor species at pH 7.3.
Last Modified3 August 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC43H56N4O13
Net Charge-2
Average Mass836.936
Monoisotopic Mass836.38549
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(c3C2=O)C([O-])=C(/C=N/N2CCN(C)CC2)C(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/C43H58N4O13/c1-21-12-11-13-22(2)41(55)45-43(56)28(20-44-47-17-15-46(9)16-18-47)36(52)30-31(40(43)54)35(51)26(6)38-32(30)39(53)42(8,60-38)58-19-14-29(57-10)23(3)37(59-27(7)48)25(5)34(50)24(4)33(21)49/h11-14,19-21,23-25,29,33-34,37,49-52,56H,15-18H2,1-10H3,(H,45,55)/p-2/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,33-,34+,37+,42-,43?/m0/s1
InChIKeyPHOQLYOMQAOQFO-AFAHLZONSA-L
ChEBI Ontology
Outgoing Relation(s)
rifampicin hemiaminal(2−) (CHEBI:142729) has functional parent rifampicin zwitterion (CHEBI:71365)
rifampicin hemiaminal(2−) (CHEBI:142729) is a phenolate anion (CHEBI:50525)
Synonyms  Source
2-hydroxyl-rifampicinSUBMITTER
rifampin rifampinSUBMITTER
2-hydroxyl-rifampinSUBMITTER
UniProt Name  Source
rifampicin hemiaminalUniProt
Citations