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CHEBI:231195 - (Z)-7-[(1S,4R,6R)-4-[(E)-Oct-6-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid

ChEBI IDCHEBI:231195
ChEBI Name(Z)-7-[(1S,4R,6R)-4-[(E)-Oct-6-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32N2O2
Net Charge0
Average Mass332.488
Monoisotopic Mass332.24638
SMILESC/C=C/CCCCCC12CC(C/C=C/CCCC(=O)O)C(C1)N=N2
InChIInChI=1S/C20H32N2O2/c1-2-3-4-5-8-11-14-20-15-17(18(16-20)21-22-20)12-9-6-7-10-13-19(23)24/h2-3,6,9,17-18H,4-5,7-8,10-16H2,1H3,(H,23,24)/b3-2+,9-6+
InChIKeyPEZZZRQWIOKEBE-SYWUFUJHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(Z)-7-[(1S,4R,6R)-4-[(E)-Oct-6-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid (CHEBI:231195) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(E)-7-[1-[(E)-oct-6-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl]hept-5-enoic acid