Somalimycin (CHEBI:207528)

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CHEBI:207528 - Somalimycin

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ChEBI ID	CHEBI:207528
ChEBI Name	Somalimycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H28N2O8
Net Charge	0
Average Mass	436.461
Monoisotopic Mass	436.18457
SMILES	CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@@H](C)OC(=O)[C@@H]1C
InChI	InChI=1S/C21H28N2O8/c1-9(2)19(26)31-17-10(3)20(27)29-11(4)15(21(28)30-12(17)5)23-18(25)13-7-6-8-14(22)16(13)24/h6-12,15,17,24H,22H2,1-5H3,(H,23,25)/t10-,11-,12+,15+,17-/m1/s1
InChIKey	WHRRCTVCKVGFOK-IXNOIGBVSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces somaliensis (ncbitaxon:78355)	-	PubMed (28469615)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Somalimycin (CHEBI:207528) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[(2R,3S,6S,7R,8R)-3-[(3-amino-2-hydroxybenzoyl)amino]-2,6,8-trimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate

Manual Xrefs	Databases
62285027	ChemSpider