WormBase Tree Display for Molecule: WBMol:00001874
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| WBMol:00001874 | Public_name | rifampin | ||||
|---|---|---|---|---|---|---|
| Formula | C43H58N4O12 | |||||
| Monoisotopic_mass | 822.405 | |||||
| IUPAC | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate | |||||
| SMILES | CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(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\N1CCN(C)CC1)c(O)c4c3C2=O | |||||
| InChi | InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | |||||
| InChiKey | JQXXHWHPUNPDRT-WLSIYKJHSA-N | |||||
| Synonym | Rifamycin, 3-(((4-methyl-1-piperazinyl)imino)methyl)- | |||||
| Benemycin | ||||||
| Rifadin | ||||||
| Rifampicin | ||||||
| Rimactan | ||||||
| Rimactane | ||||||
| Tubocin | ||||||
| rifampin | ||||||
| DB_info | Database | NLM_MeSH | UID | D012293 | ||
| CTD | ChemicalID | D012293 | ||||
| ChEBI | CHEBI_ID | 28077 | ||||
| ChemIDplus | RN | 13292-46-1 | ||||
| KEGG COMPOUND | Accession_number | C06688 | ||||
| Regulate_expr_cluster (14) | ||||||
| Affects_phenotype_of | Transgene | WBTransgene00033745 | WBPhenotype:0001405 | Curator_confirmed | WBPerson712 | |
| Disease_info | Modifies_disease | DOID:10652 | ||||
| Disease_model_modifier | WBDOannot00001420 | |||||
| WBDOannot00001421 | ||||||
| Interaction (11) | ||||||
| Molecule_use | antibiotic | xenobiotic | cytochrome P450 inducer | |||||
| Reference | WBPaper00031939 | |||||
| WBPaper00004966 | ||||||
| WBPaper00066270 |
