CHEBI:90884 - 2'-hydroxyrifampicin(1−)

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ChEBI Name 2'-hydroxyrifampicin(1−)
ChEBI ID CHEBI:90884
ChEBI ASCII Name 2'-hydroxyrifampicin(1-)
Definition An organic anion that is the conjugate base of 2'-hydroxyrifampicin resulting from the deprotonation of the 6-hydroxy group; Major species at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C43H57N4O13
Net Charge -1
Average Mass 837.945
Monoisotopic Mass 837.39276
InChI InChI=1S/C43H58N4O13/c1-21-12-11-13-22(2)42(55)44-33-28(20-47(56)46-17-15-45(9)16-18-46)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,60-40)58-19-14-29(57-10)23(3)39(59-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51,53,56H,15-18H2,1-10H3,(H,44,55)/p-1/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
InChIKey KCQOVEKQXVJLSR-ZTWDQPHTSA-M
SMILES CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C([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)\C(=C/N(O)N1CCN(C)CC1)C2=O
Metabolite of Species Details
Nocardia farcinica (NCBI:txid37329) See: PubMed
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2'-hydroxyrifampicin(1−) (CHEBI:90884) has role bacterial xenobiotic metabolite (CHEBI:76976)
2'-hydroxyrifampicin(1−) (CHEBI:90884) is a organic cation (CHEBI:25697)
2'-hydroxyrifampicin(1−) (CHEBI:90884) is conjugate base of 2'-hydroxyrifampicin (CHEBI:111544)
Incoming 2'-hydroxyrifampicin (CHEBI:111544) is conjugate acid of 2'-hydroxyrifampicin(1−) (CHEBI:90884)
IUPAC Name
(2S,8E,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,17,19-trihydroxy-8-{[hydroxy(4-methylpiperazin-1-yl)amino]methylidene}-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-6-olate
Synonym Source
2'-N-hydroxyrifampicin UniProt
Manual Xref Database
CPD-18728 MetaCyc
View more database links
Citations Waiting for Citations Types Sources
19942945 PubMed citation SUBMITTER
8980786 PubMed citation SUBMITTER
Last Modified
21 August 2023