Pteridic acid C (CHEBI:226413)

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CHEBI:226413 - Pteridic acid C

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ChEBI ID	CHEBI:226413
ChEBI Name	Pteridic acid C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H32O6
Net Charge	0
Average Mass	356.459
Monoisotopic Mass	356.21989
SMILES	CC[C@H]1[C@H](O)C[C@@]2(O[C@@H]([C@@H](C)/C=C/C(=O)O)[C@@H](C)[C@@H](O)[C@@H]2C)O[C@@H]1C
InChI	InChI=1S/C19H32O6/c1-6-14-13(5)24-19(9-15(14)20)12(4)17(23)11(3)18(25-19)10(2)7-8-16(21)22/h7-8,10-15,17-18,20,23H,6,9H2,1-5H3,(H,21,22)/b8-7+/t10-,11-,12-,13+,14+,15+,17+,18-,19-/m0/s1
InChIKey	YCCKJDBCKPNDFZ-SIXBHZPHSA-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 C (CHEBI:226413) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
(E,4S)-4-[(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]pent-2-enoic acid

Manual Xrefs	Databases
62277909	ChemSpider