Fumifungin (CHEBI:222250)

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CHEBI:222250 - Fumifungin

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ChEBI ID	CHEBI:222250
ChEBI Name	Fumifungin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H41NO7
Net Charge	0
Average Mass	431.570
Monoisotopic Mass	431.28830
SMILES	CCCCCC[C@@H](O)CCCCCC/C=C/[C@@H](O)[C@@H](OC(C)=O)[C@@H](O)[C@H](N)C(=O)O
InChI	InChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18-,19+,20+,21-/m1/s1
InChIKey	OOEOVXMORBPOKC-HQBCPPEBSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (3305454)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Fumifungin (CHEBI:222250) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E,2S,3S,4R,5R,14R)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid

Manual Xrefs	Databases
78442994	ChemSpider