Nisamycin (CHEBI:197712)

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CHEBI:197712 - Nisamycin

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ChEBI ID	CHEBI:197712
ChEBI Name	Nisamycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H27NO6
Net Charge	0
Average Mass	425.481
Monoisotopic Mass	425.18384
SMILES	O=C(O)/C=C/C=C/C=C/[C@@]1(O)C=C(NC(=O)/C=C/C=C/C2CCCCC2)C(=O)[C@@H]2O[C@@H]21
InChI	InChI=1S/C24H27NO6/c26-19(13-8-7-12-17-10-4-3-5-11-17)25-18-16-24(30,23-22(31-23)21(18)29)15-9-2-1-6-14-20(27)28/h1-2,6-9,12-17,22-23,30H,3-5,10-11H2,(H,25,26)(H,27,28)/b2-1+,12-7+,13-8+,14-6+,15-9+/t22-,23-,24+/m0/s1
InChIKey	BUSGWUFLNHIBPT-XYBORKQMSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (7961159)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Nisamycin (CHEBI:197712) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E,6E)-7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]hepta-2,4,6-trienoic acid

Manual Xrefs	Databases
4948213	ChemSpider