Fradic acid A (CHEBI:206916)

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CHEBI:206916 - Fradic acid A

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ChEBI ID	CHEBI:206916
ChEBI Name	Fradic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H16O6
Net Charge	0
Average Mass	268.265
Monoisotopic Mass	268.09469
SMILES	C[C@@H]1O[C@](C)(C(=O)O)O[C@H]1/C=C/C=C/C=C/C(=O)O
InChI	InChI=1S/C13H16O6/c1-9-10(19-13(2,18-9)12(16)17)7-5-3-4-6-8-11(14)15/h3-10H,1-2H3,(H,14,15)(H,16,17)/b4-3+,7-5+,8-6+/t9-,10-,13-/m0/s1
InChIKey	RPBJCRSEGUSGHK-SGKIGDJLSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces fradiae (ncbitaxon:1906)	-	PubMed (23203266)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Fradic acid A (CHEBI:206916) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2S,4S,5S)-4-[(1E,3E,5E)-6-carboxyhexa-1,3,5-trienyl]-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid

Manual Xrefs	Databases
29215267	ChemSpider