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CHEBI:230110 - N-Docosahexaenoyl Alanine

Default Structure
ChEBI IDCHEBI:230110
ChEBI NameN-Docosahexaenoyl Alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO3
Net Charge0
Average Mass399.575
Monoisotopic Mass399.27734
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NC(C)C(=O)O
InChIInChI=1S/C25H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)26-23(2)25(28)29/h4-5,7-8,10-11,13-14,16-17,19-20,23H,3,6,9,12,15,18,21-22H2,1-2H3,(H,26,27)(H,28,29)/b5-4+,8-7+,11-10+,14-13+,17-16+,20-19+
InChIKeyBHZOQBQXELCPJM-DMGWNJAXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
N-Docosahexaenoyl Alanine (CHEBI:230110) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-[[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]amino]propanoic acid
Manual XrefsDatabases
128530263ChemSpider