CHEBI:77036 - A41030A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name A41030A
ChEBI ID CHEBI:77036
Definition A cyclic peptide antibiotic that is A47934 lacking the O-sulfo group; it is produced by a strain of Streptomyces toyocaensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C58H44Cl3N7O18
Net Charge 0
Average Mass 1233.36500
Monoisotopic Mass 1231.18084
InChI InChI=1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)/t34-,43+,44-,45+,46+,47+,48-,49+/m0/s1
InChIKey KJTFTWQSEBLIPM-RIZHWKQXSA-N
SMILES N[C@@H]1c2ccc(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 A41030A (CHEBI:77036) has role fungal metabolite (CHEBI:76946)
A41030A (CHEBI:77036) is a cyclic ether (CHEBI:37407)
A41030A (CHEBI:77036) is a heterodetic cyclic peptide (CHEBI:24533)
A41030A (CHEBI:77036) is a organochlorine compound (CHEBI:36683)
A41030A (CHEBI:77036) is a peptide antibiotic (CHEBI:25903)
A41030A (CHEBI:77036) is a polyphenol (CHEBI:26195)
A41030A (CHEBI:77036) is conjugate acid of A41030A(1−) (CHEBI:76894)
Incoming A41030A(1−) (CHEBI:76894) is conjugate base of A41030A (CHEBI:77036)
IUPAC Name
(1S,2R,19S,22R,34S,37R,40R,52R)-22-amino-5,15,43-trichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-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
7-Demethyl-64-O-demethyl-19-deoxy-22,31,45-trichlororistomycin A aglycone ChemIDplus
Antibiotic A 41030A ChemIDplus
desulfo-A47394 MetaCyc
Manual Xref Database
CPD-15751 MetaCyc
View more database links
Registry Numbers Types Sources
5489276 Beilstein Registry Number ChemIDplus
5489276 Reaxys Registry Number Reaxys
89139-41-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17329243 PubMed citation Europe PMC
3838299 PubMed citation Europe PMC
Last Modified
20 January 2014