(+)-ethyl homononactyl nonactate (CHEBI:206825)

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CHEBI:206825 - (+)-ethyl homononactyl nonactate

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ChEBI ID	CHEBI:206825
ChEBI Name	(+)-ethyl homononactyl nonactate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H40O7
Net Charge	0
Average Mass	428.566
Monoisotopic Mass	428.27740
SMILES	CCOC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@H](CC)OC(=O)[C@@H](C)[C@@H]2CC[C@H](C[C@@H](C)O)O2)O1
InChI	InChI=1S/C23H40O7/c1-6-17(13-19-9-11-20(29-19)15(4)22(25)27-7-2)30-23(26)16(5)21-10-8-18(28-21)12-14(3)24/h14-21,24H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+/m1/s1
InChIKey	ZVKREMVFSQFIJJ-OJCIERFFSA-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 homononactyl nonactate (CHEBI:206825) is a dicarboxylic acid (CHEBI:35692)

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

Manual Xrefs	Databases
78438412	ChemSpider