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CHEBI:165532 - N-Arachidonoyl isoleucine

ChEBI IDCHEBI:165532
ChEBI NameN-Arachidonoyl isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43NO3
Net Charge0
Average Mass417.634
Monoisotopic Mass417.32429
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C26H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(28)27-25(26(29)30)23(3)5-2/h9-10,12-13,15-16,18-19,23,25H,4-8,11,14,17,20-22H2,1-3H3,(H,27,28)(H,29,30)/b10-9-,13-12-,16-15-,19-18-/t23-,25-/m0/s1
InChIKeyPDJHDVCMHSOQTA-JIAPQDDQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Arachidonoyl isoleucine (CHEBI:165532) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S,3S)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]-3-methylpentanoic acid
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