CHEBI:165536 - N-Docosahexaenoyl phenylalanine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-Docosahexaenoyl phenylalanine
ChEBI ID CHEBI:165536
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H41NO3
Net Charge 0
Average Mass 475.673
Monoisotopic Mass 475.30864
InChI InChI=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
InChIKey FUOZUQXXOVQAMJ-ZANAJQNJSA-N
SMILES OC(=O)[C@@H](NC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CC1=CC=CC=C1
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
59664371 ChemSpider
HMDB0062333 HMDB
LMFA08020094 LIPID MAPS
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