CHEBI:142729 - rifampicin hemiaminal(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 hemiaminal(2−)
ChEBI ID CHEBI:142729
ChEBI ASCII Name rifampicin hemiaminal(2-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C43H56N4O13
Net Charge -2
Average Mass 836.937
Monoisotopic Mass 836.38549
InChI InChI=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
InChIKey PHOQLYOMQAOQFO-AFAHLZONSA-L
SMILES CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C([O-])=C4C(=O)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)C(\C=N\N1CCN(C)CC1)=C([O-])C4=C3C2=O
ChEBI Ontology
Outgoing rifampicin hemiaminal(2−) (CHEBI:142729) has functional parent rifampicin zwitterion (CHEBI:71365)
rifampicin hemiaminal(2−) (CHEBI:142729) is a phenolate anion (CHEBI:50525)
Synonyms Sources
2-hydroxyl-rifampicin SUBMITTER
2-hydroxyl-rifampin SUBMITTER
rifampicin hemiaminal UniProt
rifampin rifampin SUBMITTER
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Last Modified
03 August 2020