ethyl homononactyl homononactate (CHEBI:207960)

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CHEBI:207960 - ethyl homononactyl homononactate

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ChEBI ID	CHEBI:207960
ChEBI Name	ethyl homononactyl homononactate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H42O7
Net Charge	0
Average Mass	442.593
Monoisotopic Mass	442.29305
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](O)CC)O2)O1
InChI	InChI=1S/C24H42O7/c1-6-17(25)13-19-9-11-22(29-19)16(5)24(27)31-18(7-2)14-20-10-12-21(30-20)15(4)23(26)28-8-3/h15-22,25H,6-14H2,1-5H3/t15-,16+,17-,18+,19-,20+,21-,22+/m1/s1
InChIKey	ARDYSKFJCQGKCQ-ZFCULDQTSA-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 homononactate (CHEBI:207960) 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-hydroxybutyl]oxolan-2-yl]propanoate

Manual Xrefs	Databases
78437347	ChemSpider