Violaceomide A (CHEBI:208857)

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CHEBI:208857 - Violaceomide A

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ChEBI ID	CHEBI:208857
ChEBI Name	Violaceomide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H36N4O6
Net Charge	0
Average Mass	476.574
Monoisotopic Mass	476.26348
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](C)N(C)C1=O
InChI	InChI=1S/C24H36N4O6/c1-7-13(2)19-24(33)28(5)14(3)21(30)25-18(12-16-8-10-17(34-6)11-9-16)22(31)27-20(15(4)29)23(32)26-19/h8-11,13-15,18-20,29H,7,12H2,1-6H3,(H,25,30)(H,26,32)(H,27,31)/t13-,14-,15+,18-,19-,20-/m0/s1
InChIKey	VYYORNYTPDMQJR-JHSPYMOQSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus violaceofuscus (ncbitaxon:657443)	-	PubMed (29963550)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Violaceomide A (CHEBI:208857) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(3S,6S,9S,12S)-3-[(2S)-butan-2-yl]-6-[(1R)-1-hydroxyethyl]-9-[(4-methoxyphenyl)methyl]-1,12-dimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Manual Xrefs	Databases
71044375	ChemSpider