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CHEBI:186181 - (9R,12S,15R)-d10-13-PhytoF[13R,16R]

ChEBI IDCHEBI:186181
ChEBI Name(9R,12S,15R)-d10-13-PhytoF[13R,16R]
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-HSWGLUGASA-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,12S,15R)-d10-13-PhytoF[13R,16R] (CHEBI:186181) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,9R,12S)-12-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-9,12-dihydroxydodec-10-enoic acid
Manual XrefsDatabases
113369295ChemSpider
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