Pteridic acid D (CHEBI:226418)

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CHEBI:226418 - Pteridic acid D

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ChEBI ID	CHEBI:226418
ChEBI Name	Pteridic acid D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H30O6
Net Charge	0
Average Mass	342.432
Monoisotopic Mass	342.20424
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(=O)O
InChI	InChI=1S/C18H30O6/c1-9(6-7-15(20)21)17-11(3)16(22)12(4)18(24-17)8-14(19)10(2)13(5)23-18/h6-7,9-14,16-17,19,22H,8H2,1-5H3,(H,20,21)/b7-6+/t9-,10+,11-,12-,13+,14+,16+,17-,18-/m0/s1
InChIKey	LLALUPXXNUSSKT-DBVHRIDCSA-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 D (CHEBI:226418) is a heterocyclic fatty acid (CHEBI:48847)

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

Manual Xrefs	Databases
62277910	ChemSpider