bacilysocin (CHEBI:71621)

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CHEBI:71621 - bacilysocin

ChEBI ID	CHEBI:71621
ChEBI Name	bacilysocin
Stars
Definition	A carboxylic ester resulting from the formal condensation of the carboxylic acid group of 12-methyltetradecanoic acide with one of the primary alcoholic hydroxy groups of glycerophosphoglycerol. An antibiotic obtained from Bacillus subtilis 168, it has particular activity against certain fungi. The stereochemistries of the hydroxy groups at positions C-2 and C-2' and the methyl group at position C-12 have not been determined.
Last Modified	17 January 2013
Submitter	Gareth Owen
Downloads	Molfile

Formula	C21H43O9P
Net Charge	0
Average Mass	470.540
Monoisotopic Mass	470.26447
SMILES	CCC(C)CCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO
InChI	InChI=1S/C21H43O9P/c1-3-18(2)12-10-8-6-4-5-7-9-11-13-21(25)28-15-20(24)17-30-31(26,27)29-16-19(23)14-22/h18-20,22-24H,3-17H2,1-2H3,(H,26,27)
InChIKey	DIGHTWUQPWHBPG-UHFFFAOYSA-N

Roles Classification

Biological Roles:

antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.

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.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	bacilysocin (CHEBI:71621) has functional parent 12-methyltetradecanoic acid (CHEBI:39251)
	bacilysocin (CHEBI:71621) has role antibacterial agent (CHEBI:33282)
	bacilysocin (CHEBI:71621) has role antifungal agent (CHEBI:35718)
	bacilysocin (CHEBI:71621) has role antimicrobial agent (CHEBI:33281)
	bacilysocin (CHEBI:71621) has role metabolite (CHEBI:25212)
	bacilysocin (CHEBI:71621) is a carboxylic ester (CHEBI:33308)
	bacilysocin (CHEBI:71621) is a glycerophosphoglycerols (CHEBI:24360)
	bacilysocin (CHEBI:71621) is a monoacylglycerol phosphate (CHEBI:16961)

IUPAC Name
3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl 12-methyltetradecanoate

Synonym	Source
1-(12-methyltetradecanoyl)-3-phosphoglyceroglycerol	ChEBI

Registry Numbers	Sources
Reaxys:10044462	Reaxys

Citations