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CHEBI:180512 - Cyclopenta[b]pyran-5-octanoic acid, octahydro-.epsilon.,2,6-trioxo-, (4aR,5R,7aS)-

ChEBI IDCHEBI:180512
ChEBI NameCyclopenta[b]pyran-5-octanoic acid, octahydro-.epsilon.,2,6-trioxo-, (4aR,5R,7aS)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O6
Net Charge0
Average Mass310.346
Monoisotopic Mass310.14164
SMILES[H][C@]12CC(=O)[C@H](CCC(=O)CCCCC(=O)O)[C@@]1([H])CCC(=O)O2
InChIInChI=1S/C16H22O6/c17-10(3-1-2-4-15(19)20)5-6-11-12-7-8-16(21)22-14(12)9-13(11)18/h11-12,14H,1-9H2,(H,19,20)/t11-,12-,14+/m1/s1
InChIKeyKRZCZJUXOKTLEH-BZPMIXESSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cyclopenta[b]pyran-5-octanoic acid, octahydro-.epsilon.,2,6-trioxo-, (4aR,5R,7aS)- (CHEBI:180512) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
8-[(4aR,5R,7aS)-2,6-dioxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]-6-oxooctanoic acid
Manual XrefsDatabases
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