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CHEBI:172060 - cis-3-hexenyl isovalerate

ChEBI IDCHEBI:172060
ChEBI Namecis-3-hexenyl isovalerate
Stars
ASCII Namecis-3-hexenyl isovalerate
DefinitionA 3-hexenyl isovalerate in which the double bond adopts cis-configuration.
Last Modified13 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESCC/C=C\CCOC(=O)CC(C)C
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
InChIKeyAIQLNKITFBJPFO-WAYWQWQTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128) Strain:
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Matricaria matricarioides (ncbitaxon:56017) whole plant (BTO:0001461) DOI (10.1016/S0031-9422(00)97295-9)
Prunus cerasus (ncbitaxon:140311) fruit (BTO:0000486) PubMed (35206687)
Artocarpus heterophyllus (ncbitaxon:3489) aerial part (BTO:0001658) PubMed (33844147) Found in fruit arils.
Gasterophilus pecorum (ncbitaxon:204919) - PubMed (32978441)
Vincetoxicum mongolicum (ncbitaxon:648865) - PubMed (24914292) Species also known as Cynanchum mongolicum.
Capsicum chinense (ncbitaxon:80379) - DOI (10.1016/j.foodchem.2004.11.040)
Roles Classification
Biological Roles:
insect attractant  A chemical that attracts insects.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
cis-3-hexenyl isovalerate (CHEBI:172060) has role insect attractant (CHEBI:24850)
cis-3-hexenyl isovalerate (CHEBI:172060) has role volatile oil component (CHEBI:27311)
cis-3-hexenyl isovalerate (CHEBI:172060) is a 3-hexenyl isovalerate (CHEBI:194237)
IUPAC Name 
(3Z)-hex-3-en-1-yl 3-methylbutanoate
Synonyms  Source
[(Z)-hex-3-enyl] 3-methylbutanoateChEBI
cis-3-hexenyl 3-methylbutanoateNIST Chemistry WebBook
isovaleric acid cis-3-hexenyl esterNIST Chemistry WebBook
(3Z)-3-hexenyl 3-methylbutanoateNIST Chemistry WebBook
(Z)-3-hexenyl 3-methylbutanoateNIST Chemistry WebBook
(Z)-3-hexenyl isopentanoateNIST Chemistry WebBook
Manual XrefsDatabases
LMFA07010592LIPID MAPS
4519169ChemSpider
HMDB0038278HMDB
FDB017576FooDB
C00029347KNApSAcK
Registry NumbersSources
Reaxys:2433447Reaxys
CAS:35154-45-1ChemIDplus
CAS:35154-45-1NIST Chemistry WebBook
Citations