Aspergillide G (CHEBI:217451)

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CHEBI:217451 - Aspergillide G

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ChEBI ID	CHEBI:217451
ChEBI Name	Aspergillide G
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)N)C(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChI	InChI=1S/C22H34N4O6/c1-11(2)17(26-21(30)18(12(3)4)25-19(28)13(5)23)20(29)24-16(22(31)32)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	LODIJGLULWBSDS-WGEBEKNLSA-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 G (CHEBI:217451) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2R)-2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Manual Xrefs	Databases
61360302	ChemSpider