Pteridic acid E (CHEBI:226424)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226424 - Pteridic acid E

Take structure to advanced search

ChEBI ID	CHEBI:226424
ChEBI Name	Pteridic acid E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H32O6
Net Charge	0
Average Mass	368.470
Monoisotopic Mass	368.21989
SMILES	C[C@H]1[C@@H](O)[C@H](C)[C@]2(C[C@@H](O)[C@H](C)[C@@H](C)O2)O[C@H]1[C@@H](C)/C=C/C=C/C(=O)O
InChI	InChI=1S/C20H32O6/c1-11(8-6-7-9-17(22)23)19-13(3)18(24)14(4)20(26-19)10-16(21)12(2)15(5)25-20/h6-9,11-16,18-19,21,24H,10H2,1-5H3,(H,22,23)/b8-6+,9-7+/t11-,12+,13-,14-,15+,16+,18+,19-,20-/m0/s1
InChIKey	GYTVZXLCIFKWMV-QKDYPMQGSA-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 E (CHEBI:226424) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
62277911	ChemSpider