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CHEBI:165536 - N-Docosahexaenoyl phenylalanine

ChEBI IDCHEBI:165536
ChEBI NameN-Docosahexaenoyl phenylalanine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H41NO3
Net Charge0
Average Mass475.673
Monoisotopic Mass475.30864
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C31H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(33)32-29(31(34)35)27-28-24-21-20-22-25-28/h3-4,6-7,9-10,12-13,15-16,18-22,24-25,29H,2,5,8,11,14,17,23,26-27H2,1H3,(H,32,33)(H,34,35)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t29-/m0/s1
InChIKeyFUOZUQXXOVQAMJ-ZANAJQNJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Docosahexaenoyl phenylalanine (CHEBI:165536) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-3-phenylpropanoic acid
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