ethyl nonactyl nonactate (CHEBI:206498)

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CHEBI:206498 - ethyl nonactyl nonactate

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ChEBI ID	CHEBI:206498
ChEBI Name	ethyl nonactyl nonactate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H38O7
Net Charge	0
Average Mass	414.539
Monoisotopic Mass	414.26175
SMILES	CCOC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@H](C)OC(=O)[C@@H](C)[C@@H]2CC[C@H](C[C@@H](C)O)O2)O1
InChI	InChI=1S/C22H38O7/c1-6-26-21(24)15(4)19-10-8-18(29-19)12-14(3)27-22(25)16(5)20-9-7-17(28-20)11-13(2)23/h13-20,23H,6-12H2,1-5H3/t13-,14+,15-,16+,17-,18+,19-,20+/m1/s1
InChIKey	ZWKSCXUZDFPEQH-NPCDJYPASA-N

Species of Metabolite	Component	Source	Comments
Bacillus pumilus (ncbitaxon:1408)	-	PubMed (25044594)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	ethyl nonactyl nonactate (CHEBI:206498) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
[(2S)-1-[(2S,5R)-5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxolan-2-yl]propan-2-yl] (2S)-2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]propanoate

Manual Xrefs	Databases
78437868	ChemSpider