EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:134121 - N-oleoyl-L-isoleucinate

ChEBI IDCHEBI:134121
ChEBI NameN-oleoyl-L-isoleucinate
Stars
ASCII NameN-oleoyl-L-isoleucinate
DefinitionAn N-acyl-L-α-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-isoleucine. The major species at pH 7.3.
Last Modified17 April 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC24H44NO3
Net Charge-1
Average Mass394.620
Monoisotopic Mass394.33267
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC
InChIInChI=1S/C24H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)25-23(24(27)28)21(3)5-2/h12-13,21,23H,4-11,14-20H2,1-3H3,(H,25,26)(H,27,28)/p-1/b13-12-/t21-,23-/m0/s1
InChIKeyTYWACVZIFBZIQZ-BSFUXZNJSA-M
ChEBI Ontology
Outgoing Relation(s)
N-oleoyl-L-isoleucinate (CHEBI:134121) is a N-(fatty acyl)-L-isoleucine(1−) (CHEBI:149741)
N-oleoyl-L-isoleucinate (CHEBI:134121) is a N-acyl-L-α-amino acid anion (CHEBI:59874)
N-oleoyl-L-isoleucinate (CHEBI:134121) is conjugate base of N-oleoyl-L-isoleucine (CHEBI:136711)
Incoming Relation(s)
N-oleoyl-L-isoleucine (CHEBI:136711) is conjugate acid of N-oleoyl-L-isoleucinate (CHEBI:134121)
IUPAC Name 
(2S,3S)-3-methyl-2-{[(9Z)-octadec-9-enoyl]amino}pentanoate
Synonyms  Source
N-(9Z-octadecenoyl)-L-isoleucinateChEBI
N-oleoylisoleucinateChEBI
N-[(9Z)-octadecenoyl]-L-isoleucinateChEBI
oleoylisoleucinateChEBI
N-[(9Z)-octadecenoyl]isoleucinateChEBI
N-(9Z-octadecenoyl)isoleucinateChEBI
UniProt Name  Source
N-(9Z-octadecenoyl)-L-isoleucineUniProt
Citations