Pteridic acid F (CHEBI:226428)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226428 - Pteridic acid F

Take structure to advanced search

ChEBI ID	CHEBI:226428
ChEBI Name	Pteridic acid F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H34O6
Net Charge	0
Average Mass	382.497
Monoisotopic Mass	382.23554
SMILES	CC[C@H]1[C@H](O)C[C@@]2(O[C@@H]([C@@H](C)/C=C/C=C/C(=O)O)[C@@H](C)[C@@H](O)[C@@H]2C)O[C@@H]1C
InChI	InChI=1S/C21H34O6/c1-6-16-15(5)26-21(11-17(16)22)14(4)19(25)13(3)20(27-21)12(2)9-7-8-10-18(23)24/h7-10,12-17,19-20,22,25H,6,11H2,1-5H3,(H,23,24)/b9-7+,10-8+/t12-,13-,14-,15+,16+,17+,19+,20-,21-/m0/s1
InChIKey	COFIVWDWWDQMEE-VQTSIWCNSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies SCSGAA 0027 (ncbitaxon:2979574)	-	PubMed (28951600)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Pteridic acid F (CHEBI:226428) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E,6S)-6-[(2S,3S,4R,5S,6S,8R,9S,10R)-9-ethyl-4,10-dihydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]hepta-2,4-dienoic acid

Manual Xrefs	Databases
62277912	ChemSpider