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CHEBI:66629 - NK154183A

ChEBI IDCHEBI:66629
ChEBI NameNK154183A
Stars
DefinitionA 24-membered macrolide antibiotic isolated from the fermentation broth of Streptomyces sp.NK154183. It exhibits antifungal and antitumour activity against the human colon adenocarcinoma.
Last Modified26 February 2013
DownloadsMolfile
FormulaC41H70O13
Net Charge0
Average Mass770.998
Monoisotopic Mass770.48164
SMILESCCC(O)CC1CCCC2(CC3OC(=O)/C=C/C(C)(O)C(O)C(C)C(O)C(O)C(O)C(C)(O)CCCCC/C=C/C4CC(C)(C)OC4(O)CC(O2)C3C)O1
InChIInChI=1S/C41H70O13/c1-8-28(42)21-29-16-14-19-40(52-29)23-30-25(2)31(53-40)24-41(50)27(22-37(4,5)54-41)15-12-10-9-11-13-18-38(6,48)36(47)34(45)33(44)26(3)35(46)39(7,49)20-17-32(43)51-30/h12,15,17,20,25-31,33-36,42,44-50H,8-11,13-14,16,18-19,21-24H2,1-7H3/b15-12+,20-17+
InChIKeyZACXIZMUUXGJHL-QTBZMJKBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (9031676) Strain: NK154183
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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)
NK154183A (CHEBI:66629) has role antifungal agent (CHEBI:35718)
NK154183A (CHEBI:66629) has role antineoplastic agent (CHEBI:35610)
NK154183A (CHEBI:66629) has role metabolite (CHEBI:25212)
NK154183A (CHEBI:66629) is a cyclic hemiketal (CHEBI:59780)
NK154183A (CHEBI:66629) is a macrolide antibiotic (CHEBI:25105)
NK154183A (CHEBI:66629) is a secondary alcohol (CHEBI:35681)
NK154183A (CHEBI:66629) is a spiroketal (CHEBI:72600)
NK154183A (CHEBI:66629) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(4E,18E)-11,12,13,14,16,17,27a-heptahydroxy-6'-(2-hydroxybutyl)-2,2,11,15,17,28-hexamethyl-2,3,3',3a,4',5',6,6',7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-20H-spiro[22,26-methanofuro[2,3-h][1,5]dioxacyclohexacosine-24,2'-pyran]-20-one
Registry NumbersSources
Reaxys:8181910Reaxys
CAS:152986-47-5ChemIDplus
Citations