CHEBI:29505 - A47934

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ChEBI Name A47934
ChEBI ID CHEBI:29505
Definition A cyclic peptide antibiotic produced by a strain of Streptomyces toyocaensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C58H44Cl3N7O21S
Net Charge 0
Average Mass 1313.42800
Monoisotopic Mass 1311.13766
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
SMILES N[C@@H]1c2ccc(OS(O)(=O)=O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C(O)=O)c5O)c(Cl)c4)NC1=O)c2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
(via peptide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
A-47934 Antibiotic ChemIDplus
A47934 KEGG COMPOUND
Antibiotic A 47934 KEGG COMPOUND
Manual Xrefs Databases
C00017818 KNApSAcK
C12016 KEGG COMPOUND
CPD-15750 MetaCyc
EP0100605 Patent
US4462942 Patent
US4537879 Patent
US4659660 Patent
US4880735 Patent
View more database links
Registry Number Type Source
90039-80-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12060705 PubMed citation Europe PMC
17329243 PubMed citation Europe PMC
17884639 PubMed citation Europe PMC
3124730 PubMed citation Europe PMC
3793622 PubMed citation Europe PMC
Last Modified
04 August 2014