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CHEBI:221713 - Coronafacoyl-L-isoleucine

ChEBI IDCHEBI:221713
ChEBI NameCoronafacoyl-L-isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27NO4
Net Charge0
Average Mass321.417
Monoisotopic Mass321.19401
SMILESCCC(C)[C@H](NC(=O)C1=C[C@H](CC)C[C@@H]2C(=O)CC[C@H]12)C(=O)O
InChIInChI=1S/C18H27NO4/c1-4-10(3)16(18(22)23)19-17(21)14-9-11(5-2)8-13-12(14)6-7-15(13)20/h9-13,16H,4-8H2,1-3H3,(H,19,21)(H,22,23)/t10?,11-,12+,13+,16+/m1/s1
InChIKeyRKSQYDBORLFRPF-VXEUTMNQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25423263)
ChEBI Ontology
Outgoing Relation(s)
Coronafacoyl-L-isoleucine (CHEBI:221713) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S)-2-[[(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carbonyl]amino]-3-methylpentanoic acid