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CHEBI:229917 - tetranor-pgem-d6

ChEBI IDCHEBI:229917
ChEBI Nametetranor-pgem-d6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18D6O7
Net Charge0
Average Mass334.398
Monoisotopic Mass334.18986
SMILES[2H]C([2H])(CC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCC(=O)O)C([2H])([2H])C([2H])([2H])C(=O)O
InChIInChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-13,18H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-/m1/s1/i1D2,2D2,4D2
InChIKeyZJAZCYLYLVCSNH-VFBFAAMGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
tetranor-pgem-d6 (CHEBI:229917) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
8-[(1R,2R,5R)-2-(2-carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-2,2,3,3,4,4-hexadeuterio-6-oxooctanoic acid
Manual XrefsDatabases
29341953ChemSpider
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