CHEBI:226428 - Pteridic acid F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pteridic acid F
ChEBI ID CHEBI:226428
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O6
Net Charge 0
Average Mass 382.497
Monoisotopic Mass 382.23554
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
SMILES O=C(O)/C=C/C=C/[C@@H]([C@@H]1O[C@]2(O[C@@H]([C@@H](CC)[C@@H](C2)O)C)[C@@H](C)[C@@H]([C@@H]1C)O)C
Metabolite of Species Details
Streptomycesspecies SCSGAA 0027 (NCBI:txid2979574) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
62277912 ChemSpider
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