tubelactomicin A (CHEBI:66279)

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CHEBI:66279 - tubelactomicin A

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ChEBI ID	CHEBI:66279
ChEBI Name	tubelactomicin A
Stars
Definition	A 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 Modified	10 October 2012
Downloads	Molfile

Formula	C29H42O6
Net Charge	0
Average Mass	486.649
Monoisotopic Mass	486.29814
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
InChI	InChI=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
InChIKey	LWPAZPOZBPFAAE-WSQSGNSCSA-N

Species of Metabolite	Component	Source	Comments
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:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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 A	ChEBI

Registry Numbers	Sources
Reaxys:8741997	Reaxys

Citations