Trienomycin G (CHEBI:212974)

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CHEBI:212974 - Trienomycin G

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ChEBI ID	CHEBI:212974
ChEBI Name	Trienomycin G
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(O)C(C)C(OC(=O)C(C)NC(=O)C2CCCCC2)/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(41)23-31(44-4)18-11-6-5-7-12-19-32(40)25(2)34(24)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,18,20-22,25-26,28,31-32,34,39-40H,8-10,13,15-17,19,23H2,1-4H3,(H,37,42)(H,38,41)/b6-5-,12-7-,18-11?,24-14-
InChIKey	SIIJIEHETPVQOH-BQLMQHJZSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (12003002)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Trienomycin G (CHEBI:212974) is a N-acyl-amino acid (CHEBI:51569)

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