Aeruginosamide (CHEBI:217934)

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CHEBI:217934 - Aeruginosamide

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ChEBI ID	CHEBI:217934
ChEBI Name	Aeruginosamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H48N4O4S
Net Charge	0
Average Mass	560.805
Monoisotopic Mass	560.33963
SMILES	CCC(C)[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)OC)cs1)C(C)C)N(CC=C(C)C)CC=C(C)C
InChI	InChI=1S/C30H48N4O4S/c1-10-22(8)26(33(16-13-19(2)3)17-14-20(4)5)27(35)32-25(21(6)7)29(36)34-15-11-12-24(34)28-31-23(18-39-28)30(37)38-9/h13-14,18,21-22,24-26H,10-12,15-17H2,1-9H3,(H,32,35)/t22?,24-,25-,26-/m0/s1
InChIKey	QGQGLBPVZHTZGT-FYEYIQNQSA-N

Species of Metabolite	Component	Source	Comments
Microcystis aeruginosa (ncbitaxon:1126)	-	DOI (10.1021/jo990247i)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Aeruginosamide (CHEBI:217934) is a dipeptide (CHEBI:46761)

IUPAC Name
methyl 2-[(2S)-1-[(2S)-2-[[(2S)-2-[bis(3-methylbut-2-enyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

Manual Xrefs	Databases
28283362	ChemSpider