Paecilonic acid A (CHEBI:216547)

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CHEBI:216547 - Paecilonic acid A

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ChEBI ID	CHEBI:216547
ChEBI Name	Paecilonic acid A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C24H44O5
Net Charge	0
Average Mass	412.611
Monoisotopic Mass	412.31887
SMILES	CCCCCCCC[C@@H]1O[C@@]2(CCCCCCCCCC(=O)O)O[C@@H]1CC[C@@H]2O
InChI	InChI=1S/C24H44O5/c1-2-3-4-5-9-12-15-20-21-17-18-22(25)24(28-20,29-21)19-14-11-8-6-7-10-13-16-23(26)27/h20-22,25H,2-19H2,1H3,(H,26,27)/t20-,21+,22-,24-/m0/s1
InChIKey	KIMHBIAVZVBRQI-KHUIQGCPSA-N

Species of Metabolite	Component	Source	Comments
Paecilomyces variotii (ncbitaxon:264951)	-	PubMed (27009897)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Paecilonic acid A (CHEBI:216547) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
10-[(1R,4S,5S,7S)-4-hydroxy-7-octyl-6,8-dioxabicyclo[3.2.1]octan-5-yl]decanoic acid

Manual Xrefs	Databases
58196684	ChemSpider