CHEBI:142731 - rifampicin para-naphthoquinone carboxamide(2−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name rifampicin para-naphthoquinone carboxamide(2−)
ChEBI ID CHEBI:142731
ChEBI ASCII Name rifampicin para-naphthoquinone carboxamide(2-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information ZINC000085546922
Download Molfile XML SDF
Formula C43H56N4O13
Net Charge -2
Average Mass 836.925
Monoisotopic Mass 836.38549
InChI InChI=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/h11-14,19-21,23-25,29,33-34,39,49-51,53H,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
InChIKey ABIUUBSHMGGSQA-OKVYCZLSSA-L
SMILES [C@H](C)([C@@H]([C@@H]([C@H](\C=C\O[C@]1(OC=2C(C1=O)=C3C(C(C(=C(C3=O)/C=N/N4CCN(CC4)C)[O-])=O)=C(C2C)[O-])C)OC)C)OC(=O)C)[C@H](O)[C@@H]([C@@H](O)[C@@H](C)/C=C/C=C(/C)\C(N)=O)C
ChEBI Ontology
Outgoing rifampicin para-naphthoquinone carboxamide(2−) (CHEBI:142731) has functional parent rifampicin zwitterion (CHEBI:71365)
rifampicin para-naphthoquinone carboxamide(2−) (CHEBI:142731) is a hydroxynaphthoquinone (CHEBI:132155)
Synonyms Sources
rifampicin para-naphthoquinone carboxamide UniProt
rifampin para-naphthoquinone carboxamide SUBMITTER
Citation Type Source
29578336 PubMed citation SUBMITTER