Aspergillide F (CHEBI:217445)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217445 - Aspergillide F

Take structure to advanced search

ChEBI ID	CHEBI:217445
ChEBI Name	Aspergillide F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H34N4O6
Net Charge	0
Average Mass	450.536
Monoisotopic Mass	450.24783
SMILES	CC(C)C(NC(=O)C(NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O
InChI	InChI=1S/C22H34N4O6/c1-11(2)17(21(30)26-18(12(3)4)22(31)32)25-19(28)13(5)24-20(29)16(23)10-14-6-8-15(27)9-7-14/h6-9,11-13,16-18,27H,10,23H2,1-5H3,(H,24,29)(H,25,28)(H,26,30)(H,31,32)/t13-,16-,17?,18?/m0/s1
InChIKey	KPRWCWPEJZZLPQ-WSTOCAFGSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	DOI (10.1016/j.tetlet.2017.02.005)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Aspergillide F (CHEBI:217445) is a oligopeptide (CHEBI:25676)

IUPAC Name
2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid

Manual Xrefs	Databases
61360301	ChemSpider