CHEBI:172060 - cis-3-hexenyl isovalerate

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ChEBI Name cis-3-hexenyl isovalerate
ChEBI ID CHEBI:172060
ChEBI ASCII Name cis-3-hexenyl isovalerate
Definition A 3-hexenyl isovalerate in which the double bond adopts cis-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H20O2
Net Charge 0
Average Mass 184.279
Monoisotopic Mass 184.14633
InChI InChI=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-
InChIKey AIQLNKITFBJPFO-WAYWQWQTSA-N
SMILES CC\C=C/CCOC(=O)CC(C)C
Metabolite of Species Details
Prunus cerasus (NCBI:txid140311) Found in fruit (BTO:0000486). See: PubMed
Gasterophilus pecorum (NCBI:txid204919) See: PubMed
Artocarpus heterophyllus (NCBI:txid3489) Found in aerial part (BTO:0001658). Found in fruit arils. See: PubMed
Matricaria matricarioides (NCBI:txid56017) Found in whole plant (BTO:0001461). See: DOI
Vincetoxicum mongolicum (NCBI:txid648865) Species also known as Cynanchum mongolicum. See: PubMed
Capsicum chinense (NCBI:txid80379) See: DOI
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain See: MetaboLights Study
Roles Classification
Biological Role(s): 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.
(via 3-hexenyl isovalerate )
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via 3-hexenyl isovalerate )
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
(via 3-hexenyl isovalerate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(3Z)-3-hexenyl 3-methylbutanoate NIST Chemistry WebBook
(3Z)-hex-3-enyl 3-methylbutyrate ChEBI
(3Z)-hex-3-enyl isovalerate ChEBI
(3Z)-hexenyl 3-methyl butyrate ChEBI
(3Z)-hexenyl isovalerate ChEBI
(Z)-3-hexen-1-yl isovalerate ChEBI
(Z)-3-hexenyl 3-methylbutanoate NIST Chemistry WebBook
(Z)-3-hexenyl 3-methylbutyrate ChEBI
(Z)-3-hexenyl isopentanoate NIST Chemistry WebBook
(Z)-3-hexenyl isovalerate NIST Chemistry WebBook
(Z)-hex-3-en-1-yl 3-methylbutanoate NIST Chemistry WebBook
(Z)-hex-3-enyl 3-methylbutanoate ChEBI
(Z)-hex-3-enyl 3-methylbutyrate ChEBI
(Z)-hex-3-enyl isovalerate NIST Chemistry WebBook
3-methylbutanoic acid (3Z)-3-hexen-1-yl ester ChEBI
3-methylbutanoic acid (Z)-3-hexenyl ester ChEBI
[(Z)-hex-3-enyl] 3-methylbutanoate ChEBI
cis-3-hexenyl 3-methylbutanoate NIST Chemistry WebBook
cis-3-hexenyl 3-methylbutyrate ChEBI
cis-3-hexenyl isopentanoate ChEBI
cis-hex-3-enyl 3-methylbutanoate ChEBI
cis-hex-3-enyl 3-methylbutyrate ChEBI
cis-hex-3-enyl isovalerate ChEBI
isovaleric acid cis-3-hexenyl ester NIST Chemistry WebBook
Manual Xrefs Databases
4519169 ChemSpider
C00029347 KNApSAcK
FDB017576 FooDB
HMDB0038278 HMDB
LMFA07010592 LIPID MAPS
View more database links
Registry Numbers Types Sources
2433447 Reaxys Registry Number Reaxys
35154-45-1 CAS Registry Number ChemIDplus
35154-45-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
19224664 PubMed citation Europe PMC
24914292 PubMed citation Europe PMC
32978441 PubMed citation Europe PMC
33844147 PubMed citation Europe PMC
34487799 PubMed citation Europe PMC
35206687 PubMed citation Europe PMC
IND43763237 Agricola citation Europe PMC
IND44563111 Agricola citation Europe PMC
Last Modified
13 January 2023