(+)-homononactyl nonactate (CHEBI:214164)

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CHEBI:214164 - (+)-homononactyl nonactate

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ChEBI ID	CHEBI:214164
ChEBI Name	(+)-homononactyl nonactate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H36O7
Net Charge	0
Average Mass	400.512
Monoisotopic Mass	400.24610
SMILES	CC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1)OC(=O)[C@@H](C)[C@@H]1CC[C@H](C[C@@H](C)O)O1
InChI	InChI=1S/C21H36O7/c1-5-15(11-17-7-8-18(27-17)13(3)20(23)24)28-21(25)14(4)19-9-6-16(26-19)10-12(2)22/h12-19,22H,5-11H2,1-4H3,(H,23,24)/t12-,13-,14+,15+,16-,17+,18-,19+/m1/s1
InChIKey	LAHVNDBOZVIZMO-AKSSTEKGSA-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)
	(+)-homononactyl nonactate (CHEBI:214164) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid

Manual Xrefs	Databases
78437507	ChemSpider