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CHEBI:39100 - (+)-trans-chrysanthemic acid

ChEBI IDCHEBI:39100
ChEBI Name(+)-trans-chrysanthemic acid
Stars
ASCII Name(+)-trans-chrysanthemic acid
DefinitionA trans-chrysanthemic acid in which both stereocentres have R configuration.
Last Modified18 June 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyXLOPRKKSAJMMEW-SFYZADRCSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(+)-trans-chrysanthemic acid (CHEBI:39100) has functional parent (R,R)-chrysanthemal (CHEBI:143899)
(+)-trans-chrysanthemic acid (CHEBI:39100) is a trans-chrysanthemic acid (CHEBI:39101)
(+)-trans-chrysanthemic acid (CHEBI:39100) is conjugate acid of (R,R)-chrysanthemate (CHEBI:143900)
(+)-trans-chrysanthemic acid (CHEBI:39100) is enantiomer of (−)-trans-chrysanthemic acid (CHEBI:39102)
Incoming Relation(s)
(+)-trans-allethrin (CHEBI:39118) has functional parent (+)-trans-chrysanthemic acid (CHEBI:39100)
(1R)-trans-imiprothrin (CHEBI:39373) has functional parent (+)-trans-chrysanthemic acid (CHEBI:39100)
(1R)-trans-phenothrin (CHEBI:39405) has functional parent (+)-trans-chrysanthemic acid (CHEBI:39100)
pyrethrins (CHEBI:39098) has functional parent (+)-trans-chrysanthemic acid (CHEBI:39100)
(R,R)-chrysanthemate (CHEBI:143900) is conjugate base of (+)-trans-chrysanthemic acid (CHEBI:39100)
(−)-trans-chrysanthemic acid (CHEBI:39102) is enantiomer of (+)-trans-chrysanthemic acid (CHEBI:39100)
IUPAC Name 
(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid
Synonyms  Source
(+)-(1R,3R)-2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acidChemIDplus
(+)-trans-chrysanthemic acidChemIDplus
(1R-trans)-chrysanthemic acidChemIDplus
chrysanthemic acid d-trans-formChemIDplus
(1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acidChemIDplus
(+)-trans-ChrysanthemumsäureChEBI
Manual XrefsDatabases
LMPR0102060001LIPID MAPS
C00003031KNApSAcK
C09842KEGG COMPOUND
Registry NumbersSources
Beilstein:2043419Beilstein
Beilstein:4904351Beilstein
CAS:4638-92-0ChemIDplus
CAS:10453-89-1KEGG COMPOUND
Citations