CHEBI:202475 - Cytospolide P

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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 Cytospolide P
ChEBI ID CHEBI:202475
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H28O6
Net Charge 0
Average Mass 328.405
Monoisotopic Mass 328.18859
InChI InChI=1S/C17H28O6/c1-4-5-6-7-16-14(19)9-8-13(22-12(3)18)10-15(20)11(2)17(21)23-16/h11,13-14,16,19H,4-10H2,1-3H3/t11-,13+,14-,16+/m0/s1
InChIKey ULYITTZTULSLHI-ZGMNHVEMSA-N
SMILES O=C1O[C@@H]([C@@H](O)CC[C@H](CC([C@@H]1C)=O)OC(=O)C)CCCCC
Metabolite of Species Details
Cytosporaspecies (NCBI:txid1715226) 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 Cytospolide P (CHEBI:202475) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name
[(3S,6R,9S,10R)-9-hydroxy-3-methyl-2,4-dioxo-10-pentyloxecan-6-yl] acetate
Manual Xref Database
78436877 ChemSpider
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