EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189921 - N-[[3-Hydroxy-2-(2-pentenyl)cyclopentyl]acetyl]isoleucine

ChEBI IDCHEBI:189921
ChEBI NameN-[[3-Hydroxy-2-(2-pentenyl)cyclopentyl]acetyl]isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H31NO4
Net Charge0
Average Mass325.449
Monoisotopic Mass325.22531
SMILESCC/C=C/CC1C(O)CCC1CC(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-15,17,20H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6+
InChIKeySJUZAQZEDDCWNC-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
N-[[3-Hydroxy-2-(2-pentenyl)cyclopentyl]acetyl]isoleucine (CHEBI:189921) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
2-[[2-[3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
HMDB0041248HMDB
35015140ChemSpider