Trienomycin A (CHEBI:227454)

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CHEBI:227454 - Trienomycin A

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ChEBI ID	CHEBI:227454
ChEBI Name	Trienomycin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H50N2O7
Net Charge	0
Average Mass	622.803
Monoisotopic Mass	622.36180
SMILES	COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1
InChI	InChI=1S/C36H50N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,18,20-22,25-26,28,31-32,34,39,41H,8-10,13,15-17,19,23H2,1-4H3,(H,37,42)(H,38,40)/b6-5+,12-7+,18-11?,24-14-
InChIKey	WACCDLYIHBADOZ-XYZOLWCQSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (3840155)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Trienomycin A (CHEBI:227454) 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-(cyclohexanecarbonylamino)propanoate