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CHEBI:66279 - tubelactomicin A

ChEBI IDCHEBI:66279
ChEBI Nametubelactomicin A
Stars
DefinitionA 16-membered macrolide which exhibits strong and specific antimicrobial activities against rapid-growing Mycobacteria including drug-resistant strains. It is isolated from the culture broth of Nocardia sp.MK703-102F1
Last Modified10 October 2012
DownloadsMolfile
FormulaC29H42O6
Net Charge0
Average Mass486.649
Monoisotopic Mass486.29814
SMILES[H][C@]12CC[C@H](C)[C@@H](O)[C@]1([H])C=C(C)[C@]1([H])/C=C/C=C/[C@H](C)[C@@H](O)/C(C(=O)O)=C/CCC[C@@H](C)OC(=O)[C@]21C
InChIInChI=1S/C29H42O6/c1-17-10-6-9-13-23-19(3)16-22-24(15-14-18(2)26(22)31)29(23,5)28(34)35-20(4)11-7-8-12-21(25(17)30)27(32)33/h6,9-10,12-13,16-18,20,22-26,30-31H,7-8,11,14-15H2,1-5H3,(H,32,33)/b10-6+,13-9+,21-12-/t17-,18-,20+,22+,23-,24-,25+,26+,29-/m0/s1
InChIKeyLWPAZPOZBPFAAE-WSQSGNSCSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1821) - PubMed (11132953) Strain: MK 703-102F1
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
tubelactomicin A (CHEBI:66279) has role antimicrobial agent (CHEBI:33281)
tubelactomicin A (CHEBI:66279) has role antitubercular agent (CHEBI:33231)
tubelactomicin A (CHEBI:66279) has role metabolite (CHEBI:25212)
tubelactomicin A (CHEBI:66279) is a macrolide (CHEBI:25106)
tubelactomicin A (CHEBI:66279) is a monocarboxylic acid (CHEBI:25384)
tubelactomicin A (CHEBI:66279) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3R,7Z,9R,10S,11E,13E,14aS,16aR,17R,18S,20aS,20bR)-9,17-dihydroxy-3,10,15,18,20b-pentamethyl-1-oxo-3,4,5,6,9,10,14a,16a,17,18,19,20,20a,20b-tetradecahydro-1H-naphtho[1,2-c]oxacyclohexadecine-8-carboxylic acid
Synonym  Source
(+)-tubelactomicin AChEBI
Registry NumbersSources
Reaxys:8741997Reaxys
Citations