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CHEBI:45846 - trans-2-hexadecenoyl-(N-acetylcysteamine)-thioester

ChEBI IDCHEBI:45846
ChEBI Nametrans-2-hexadecenoyl-(N-acetylcysteamine)-thioester
Stars
ASCII Nametrans-2-hexadecenoyl-(N-acetylcysteamine)-thioester
DefinitionA thioester resulting from the formal condensation of the carboxy group of (E)-hexadec-2-enoic acid with the thiol group of N-acetylcysteamine.
Last Modified3 March 2025
DownloadsMolfile
FormulaC20H37NO2S
Net Charge0
Average Mass355.588
Monoisotopic Mass355.25450
SMILESCCCCCCCCCCCCC/C=C/C(=O)SCCNC(C)=O
InChIInChI=1S/C20H37NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-17-21-19(2)22/h15-16H,3-14,17-18H2,1-2H3,(H,21,22)/b16-15+
InChIKeyVIXXZZPJQPJTIC-FOCLMDBBSA-N
ChEBI Ontology
Outgoing Relation(s)
trans-2-hexadecenoyl-(N-acetylcysteamine)-thioester (CHEBI:45846) has functional parent (E)-hexadec-2-enoic acid (CHEBI:37252)
trans-2-hexadecenoyl-(N-acetylcysteamine)-thioester (CHEBI:45846) has functional parent N-acetylcysteamine (CHEBI:74410)
trans-2-hexadecenoyl-(N-acetylcysteamine)-thioester (CHEBI:45846) is a acetamides (CHEBI:22160)
trans-2-hexadecenoyl-(N-acetylcysteamine)-thioester (CHEBI:45846) is a thioester (CHEBI:51277)
IUPAC Name 
S-(2-acetamidoethyl) (2E)-hexadec-2-enethioate
Synonyms  Source
S-[2-(acetylamino)ethyl] hexadecanethioatePDBeChem
N-{2-[(2E)-hexadec-2-enoylsulfanyl]ethyl}acetamideChEBI
(E)-2-hexadecenethioic acid S-(2-acetylaminoethyl)esterChEBI
trans-2-hexadecenoyl-(N-acetyl-cysteamine)-thioesterPDBeChem
Manual XrefsDatabases
THTPDBeChem
Citations