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CHEBI:142730 - rifampicin ortho-naphthoquinone carboxamide(2−)

ChEBI IDCHEBI:142730
ChEBI Namerifampicin ortho-naphthoquinone carboxamide(2−)
Stars
ASCII Namerifampicin ortho-naphthoquinone carboxamide(2-)
DefinitionMajor species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC43H56N4O13
Net Charge-2
Average Mass836.936
Monoisotopic Mass836.38549
SMILESCO[C@@H](/C=C/O[C@@]1(C)Oc2c(C)c([O-])c3c(c2C1=O)C([O-])=C(/C=N/N1CCN(C)CC1)C(=O)C3=O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(N)=O
InChIInChI=1S/C43H58N4O13/c1-21(12-11-13-22(2)42(44)56)33(49)24(4)34(50)25(5)39(59-27(7)48)23(3)29(57-10)14-19-58-43(8)41(55)32-30-31(35(51)26(6)40(32)60-43)38(54)37(53)28(36(30)52)20-45-47-17-15-46(9)16-18-47/h11-14,19-21,23-25,29,33-34,39,49-52H,15-18H2,1-10H3,(H2,44,56)/p-2/b12-11+,19-14+,22-13-,45-20+/t21-,23+,24+,25+,29-,33-,34+,39+,43-/m0/s1
InChIKeyCNVYFCQADLMUJV-OKVYCZLSSA-L
ChEBI Ontology
Outgoing Relation(s)
rifampicin ortho-naphthoquinone carboxamide(2−) (CHEBI:142730) has functional parent rifampicin zwitterion (CHEBI:71365)
rifampicin ortho-naphthoquinone carboxamide(2−) (CHEBI:142730) is a hydroxynaphthoquinone (CHEBI:132155)
Synonym  Source
rifampin ortho-naphthoquinone carboxamideSUBMITTER
UniProt Name  Source
rifampicin ortho-naphthoquinone carboxamideUniProt
Citations