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CHEBI:138430 - (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate

ChEBI IDCHEBI:138430
ChEBI Name(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate
Stars
ASCII Name(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate
DefinitionAn oxo monocarboxylic acid anion that is the conjugate base of (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified20 November 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC16H25O3
Net Charge-1
Average Mass265.373
Monoisotopic Mass265.18092
SMILESCC/C=C\C[C@H]1C(=O)CC[C@H]1CCCCCC(=O)[O-]
InChIInChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/p-1/b5-3-/t13-,14-/m1/s1
InChIKeyWIJWBOWLVOOYFR-BDSSXFGHSA-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)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate (CHEBI:138430) is a Jasmonate derivatives (CHEBI:167055)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate (CHEBI:138430) is a oxo monocarboxylic acid anion (CHEBI:35902)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate (CHEBI:138430) is conjugate base of (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085)
Incoming Relation(s)
(9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid (CHEBI:139085) is conjugate acid of (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate (CHEBI:138430)
IUPAC Name 
6-{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}hexanoate
Synonym  Source
OPC-6:0SUBMITTER
UniProt Name  Source
OPC-6UniProt
Citations