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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:36999 - perillic acid
Main
ChEBI Ontology
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ChEBI Name
perillic acid
ChEBI ID
CHEBI:36999
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:25936, CHEBI:29661
Supplier Information
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Formula
C10H14O2
Net Charge
0
Average Mass
166.21696
Monoisotopic Mass
166.09938
InChI
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
InChIKey
CDSMSBUVCWHORP-UHFFFAOYSA-N
SMILES
CC(=C)C1CCC(=CC1)C(O)=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
perillic acid (
CHEBI:36999
)
has role
antineoplastic agent (
CHEBI:35610
)
perillic acid (
CHEBI:36999
)
has role
human metabolite (
CHEBI:77746
)
perillic acid (
CHEBI:36999
)
has role
mouse metabolite (
CHEBI:75771
)
perillic acid (
CHEBI:36999
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
perillic acid (
CHEBI:36999
)
is a
cyclohexenecarboxylic acid (
CHEBI:23483
)
perillic acid (
CHEBI:36999
)
is conjugate acid of
perillate (
CHEBI:62641
)
Incoming
perillyl-coenzyme A (
CHEBI:37002
)
has functional parent
perillic acid (
CHEBI:36999
)
perillate (
CHEBI:62641
)
is conjugate base of
perillic acid (
CHEBI:36999
)
IUPAC Name
4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid
Synonyms
Sources
4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid
ChEBI
4-isopropenylcyclohex-1-enecarboxylic acid
ChemIDplus
Perillic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00010870
KNApSAcK
C11924
KEGG COMPOUND
LMPR0102090041
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
7694-45-3
CAS Registry Number
KEGG COMPOUND
7694-45-3
CAS Registry Number
ChemIDplus
Last Modified
27 January 2016