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CHEBI:186254 - (9R,12R,15R)-d10-13-PhytoF[13S,16S]

ChEBI IDCHEBI:186254
ChEBI Name(9R,12R,15R)-d10-13-PhytoF[13S,16S]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O6
Net Charge0
Average Mass344.448
Monoisotopic Mass344.21989
SMILES[H][C@@]1([C@H](O)/C=C/[C@H](O)CCCCCCCC(=O)O)C[C@@H](O)[C@H](CC)O1
InChIInChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m1/s1
InChIKeyLWIIWULNZCFOCA-SDBOAPILSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9R,12R,15R)-d10-13-PhytoF[13S,16S] (CHEBI:186254) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,9R,12R)-12-[(2S,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-9,12-dihydroxydodec-10-enoic acid
Manual XrefsDatabases
113369290ChemSpider
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