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 No supplier information found for this compound.
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 Types Sources
19942945 PubMed citation SUBMITTER
8980786 PubMed citation SUBMITTER
Last Modified
21 August 2023