Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:87568 - 1-
p
-menth-1-ene-9-al
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-
p
-menth-1-ene-9-al
ChEBI ID
CHEBI:87568
ChEBI ASCII Name
1-p-menth-1-ene-9-al
Definition
A monoterpenoid that is propanal substituted by a 4-methylcyclohex-3-en-1-yl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H16O
Net Charge
0
Average Mass
152.23340
Monoisotopic Mass
152.12012
InChI
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3
InChIKey
UMEJBWOWZDRULR-UHFFFAOYSA-N
SMILES
CC(C=O)C1CCC(C)=CC1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-
p
-menth-1-ene-9-al (
CHEBI:87568
)
has parent hydride
p
-menthane (
CHEBI:25826
)
1-
p
-menth-1-ene-9-al (
CHEBI:87568
)
has role
metabolite (
CHEBI:25212
)
1-
p
-menth-1-ene-9-al (
CHEBI:87568
)
is a
aldehyde (
CHEBI:17478
)
1-
p
-menth-1-ene-9-al (
CHEBI:87568
)
is a
monoterpenoid (
CHEBI:25409
)
IUPAC Name
2-(4-methylcyclohex-3-en-1-yl)propanal
Synonym
Source
α,4-dimethyl-3-cyclohexene-1-acetaldehyde
NIST Chemistry WebBook
Registry Numbers
Types
Sources
2206739
Reaxys Registry Number
Reaxys
29548-14-9
CAS Registry Number
ChemIDplus
29548-14-9
CAS Registry Number
NIST Chemistry WebBook
Citation
Type
Source
IND43850344
Agricola citation
Europe PMC
Last Modified
19 August 2015