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CHEBI:165535 - N-Docosahexaenoyl histidine

ChEBI IDCHEBI:165535
ChEBI NameN-Docosahexaenoyl histidine
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FormulaC28H39N3O3
Net Charge0
Average Mass465.638
Monoisotopic Mass465.29914
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C28H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(32)31-26(28(33)34)22-25-23-29-24-30-25/h3-4,6-7,9-10,12-13,15-16,18-19,23-24,26H,2,5,8,11,14,17,20-22H2,1H3,(H,29,30)(H,31,32)(H,33,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m0/s1
InChIKeyCSYKKUPVQHFOBC-FJXNLOIUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Docosahexaenoyl histidine (CHEBI:165535) is a histidine derivative (CHEBI:24599)
IUPAC Name 
(2S)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
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