EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184745 - (9R,13R,16S)-d10-12-PhytoF[12R,15R]

ChEBI IDCHEBI:184745
ChEBI Name(9R,13R,16S)-d10-12-PhytoF[12R,15R]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O6
Net Charge0
Average Mass344.448
Monoisotopic Mass344.21989
SMILES[H][C@]1([C@@H](O)CC)C[C@@H](O)[C@@H](/C=C/[C@H](O)CCCCCCCC(=O)O)O1
InChIInChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)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
InChIKeyBHWUKOCNOLCGLB-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,13R,16S)-d10-12-PhytoF[12R,15R] (CHEBI:184745) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,9R)-9-hydroxy-11-[(2R,3R,5R)-3-hydroxy-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]undec-10-enoic acid
Manual XrefsDatabases
113369326ChemSpider
LMFA02040044LIPID MAPS