Pteridic acid A (CHEBI:214510)

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CHEBI:214510 - Pteridic acid A

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ChEBI ID	CHEBI:214510
ChEBI Name	Pteridic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H32O5
Net Charge	0
Average Mass	364.482
Monoisotopic Mass	364.22497
SMILES	CC[C@H]1C=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/C21H32O5/c1-6-17-11-12-21(25-16(17)5)15(4)19(24)14(3)20(26-21)13(2)9-7-8-10-18(22)23/h7-17,19-20,24H,6H2,1-5H3,(H,22,23)/b9-7+,10-8+/t13-,14-,15+,16+,17-,19+,20-,21+/m0/s1
InChIKey	QBUNWYIRJPTIPL-KJDSHMCHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (12374388)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Pteridic acid A (CHEBI:214510) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
9189152	ChemSpider