EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:29505 - A47934
| Formula | C58H44Cl3N7O21S |
| Net Charge | 0 |
| Average Mass | 1313.444 |
| Monoisotopic Mass | 1311.13766 |
| SMILES | N[C@H]1C(=O)N[C@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2OS(=O)(=O)O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O |
| InChI | InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43+,44-,45+,46+,47+,48-,49+/m0/s1 |
| InChIKey | HRGFAEUWEMDRRZ-RIZHWKQXSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| A47934 (CHEBI:29505) has role fungal metabolite (CHEBI:76946) |
| A47934 (CHEBI:29505) is a aryl sulfate (CHEBI:37919) |
| A47934 (CHEBI:29505) is a cyclic ether (CHEBI:37407) |
| A47934 (CHEBI:29505) is a heterodetic cyclic peptide (CHEBI:24533) |
| A47934 (CHEBI:29505) is a organochlorine compound (CHEBI:36683) |
| A47934 (CHEBI:29505) is a peptide antibiotic (CHEBI:25903) |
| A47934 (CHEBI:29505) is a polyphenol (CHEBI:26195) |
| A47934 (CHEBI:29505) is conjugate acid of A47934(2−) (CHEBI:76892) |
| Incoming Relation(s) |
| A47934(2−) (CHEBI:76892) is conjugate base of A47934 (CHEBI:29505) |
| IUPAC Name |
|---|
| (1S,2R,19S,22R,34S,37R,40R,52R)-22-amino-5,15,43-trichloro-2,31,44,47,49,64-hexahydroxy-21,35,38,54,56,59-hexaoxo-26-(sulfooxy)-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylic acid |
| Synonyms | Source |
|---|---|
| A47934 | KEGG COMPOUND |
| Antibiotic A 47934 | KEGG COMPOUND |
| A-47934 Antibiotic | ChemIDplus |
| Citations |
|---|