CHEBI:230970 - N-Docosahexaenoyl Proline

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ChEBI Name N-Docosahexaenoyl Proline
ChEBI ID CHEBI:230970
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H39NO3
Net Charge 0
Average Mass 425.613
Monoisotopic Mass 425.29299
InChI InChI=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
InChIKey GBMHYJPGXBXORW-VWLOTQADSA-N
SMILES OC(=O)[C@H]1N(CCC1)C(=O)C=CC=CC=CC=CC=CC=CCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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