Trienomycin B (CHEBI:223859)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223859 - Trienomycin B

Take structure to advanced search

ChEBI ID	CHEBI:223859
ChEBI Name	Trienomycin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H48N2O7
Net Charge	0
Average Mass	596.765
Monoisotopic Mass	596.34615
SMILES	COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)CC(C)C)C(C)C(O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1
InChI	InChI=1S/C34H48N2O7/c1-22(2)17-31(38)35-25(5)34(41)43-30-16-11-9-7-8-10-15-29(42-6)21-32(39)36-27-18-26(19-28(37)20-27)14-12-13-23(3)33(40)24(30)4/h7-11,13,15,18-20,22,24-25,29-30,33,37,40H,12,14,16-17,21H2,1-6H3,(H,35,38)(H,36,39)/b8-7+,11-9+,15-10?,23-13-
InChIKey	JPHBJDDGVQSIGJ-ABNCGODKSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (3841536)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Trienomycin B (CHEBI:223859) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[(8E,10E,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 2-(3-methylbutanoylamino)propanoate