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CHEBI:230970 - N-Docosahexaenoyl Proline

ChEBI IDCHEBI:230970
ChEBI NameN-Docosahexaenoyl Proline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO3
Net Charge0
Average Mass425.613
Monoisotopic Mass425.29299
SMILESCCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C27H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(29)28-24-21-22-25(28)27(30)31/h10-20,23,25H,2-9,21-22,24H2,1H3,(H,30,31)/t25-/m0/s1
InChIKeyGBMHYJPGXBXORW-VWLOTQADSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
N-Docosahexaenoyl Proline (CHEBI:230970) is a proline derivative (CHEBI:26273)
IUPAC Name 
(2S)-1-docosa-2,4,6,8,10,12-hexaenoylpyrrolidine-2-carboxylic acid