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CHEBI:66299 - respirantin

Default Structure
ChEBI IDCHEBI:66299
ChEBI Namerespirantin
Stars
DefinitionA cyclodepsipeptide isolated from Streptomyces and Kitasatospora and has been shown to exhibit antimicrobial and antineoplastic activity.
Last Modified22 April 2013
DownloadsMolfile
FormulaC37H53N3O13
Net Charge0
Average Mass747.839
Monoisotopic Mass747.35784
SMILES[H][C@@]1(C(C)CC)OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C37H53N3O13/c1-11-20(6)29-32(45)39-25(15-18(2)3)30(43)37(9,10)36(49)52-26(16-19(4)5)34(47)50-21(7)27(35(48)51-22(8)33(46)53-29)40-31(44)23-13-12-14-24(28(23)42)38-17-41/h12-14,17-22,25-27,29,42H,11,15-16H2,1-10H3,(H,38,41)(H,39,45)(H,40,44)/t20?,21-,22+,25+,26+,27+,29+/m1/s1
InChIKeyHJNZTHHOZWMVPB-WCSXKIRISA-N
Species of MetaboliteComponentSourceComments
Kitasatospora (ncbitaxon:2063) - PubMed (17608530)
Streptomyces sp. (ncbitaxon:1931) - PubMed (8501018)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
respirantin (CHEBI:66299) has role antimicrobial agent (CHEBI:33281)
respirantin (CHEBI:66299) has role antineoplastic agent (CHEBI:35610)
respirantin (CHEBI:66299) has role metabolite (CHEBI:25212)
respirantin (CHEBI:66299) is a benzamides (CHEBI:22702)
respirantin (CHEBI:66299) is a cyclodepsipeptide (CHEBI:35213)
respirantin (CHEBI:66299) is a formamides (CHEBI:24079)
respirantin (CHEBI:66299) is a phenols (CHEBI:33853)
IUPAC Name 
N-[(2S,5S,8S,13S,16R,17S)-5-(butan-2-yl)-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-1,4,12,15-tetraoxa-7-azacyclooctadecan-17-yl]-3-(formylamino)-2-hydroxybenzamide
Synonym  Source
cyclodepsipeptide 1ChEBI
Manual XrefsDatabases
WO2008151306Patent
Registry NumbersSources
Reaxys:11184596Reaxys
Citations