CHEBI:226413 - Pteridic acid C

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ChEBI Name Pteridic acid C
ChEBI ID CHEBI:226413
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H32O6
Net Charge 0
Average Mass 356.459
Monoisotopic Mass 356.21989
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
SMILES O=C(O)/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 )
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ChEBI Ontology
Outgoing 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 Xref Database
62277909 ChemSpider
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