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CHEBI:138432 - 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate

ChEBI IDCHEBI:138432
ChEBI Name6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate
Stars
ASCII Name6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate
DefinitionAn oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid. The major species at pH 7.3.
Last Modified21 September 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC16H23O3
Net Charge-1
Average Mass263.357
Monoisotopic Mass263.16527
SMILESCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCC(=O)[O-]
InChIInChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/p-1/b5-3-/t13-,14-/m0/s1
InChIKeySZVNKXCDJUBPQO-DWMAKUKJSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate (CHEBI:138432) is a Jasmonate derivatives (CHEBI:167055)
6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate (CHEBI:138432) is a oxo monocarboxylic acid anion (CHEBI:35902)
6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate (CHEBI:138432) is conjugate base of 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid (CHEBI:138434)
Incoming Relation(s)
6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid (CHEBI:138434) is conjugate acid of 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate (CHEBI:138432)
IUPAC Name 
6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate
Synonyms  Source
dinor-OPDA(1−)SUBMITTER
dinor-12-oxo PDA(1−)SUBMITTER
dnOPDA(1−)SUBMITTER
UniProt Name  Source
dinor-OPDAUniProt
Citations