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:89816 - tridecanal
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
tridecanal
ChEBI ID
CHEBI:89816
Definition
A long-chain fatty aldehyde that is tridecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group.
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
more structures >>
Molfile
Formula
C13H26O
Net Charge
0
Average Mass
198.350
Monoisotopic Mass
198.19837
InChI
InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
InChIKey
BGEHHAVMRVXCGR-UHFFFAOYSA-N
SMILES
[H]C(=O)CCCCCCCCCCCC
Metabolite of Species
Details
Paeonia tomentosa
(NCBI:txid1123986)
Species also known as Paeonia daurica subsp. tomentosa. See:
PubMed
Coriandrum sativum
(NCBI:txid4047)
See:
PubMed
Cistus creticus
subsp.
creticus
(NCBI:txid483148)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tridecanal (
CHEBI:89816
)
has parent hydride
tridecane (
CHEBI:35998
)
tridecanal (
CHEBI:89816
)
has role
human metabolite (
CHEBI:77746
)
tridecanal (
CHEBI:89816
)
has role
volatile oil component (
CHEBI:27311
)
tridecanal (
CHEBI:89816
)
is a
n
-alkanal (
CHEBI:12834
)
tridecanal (
CHEBI:89816
)
is a
long-chain fatty aldehyde (
CHEBI:17176
)
tridecanal (
CHEBI:89816
)
is a
saturated fatty aldehyde (
CHEBI:133249
)
IUPAC Name
tridecanal
Synonyms
Sources
1-tridecanal
NIST Chemistry WebBook
aldehyde 13-13
ChEBI
n
-tridecanal
NIST Chemistry WebBook
n
-tridecylaldehyde
NIST Chemistry WebBook
tridecanal
UniProt
tridecanaldehyde
NIST Chemistry WebBook
tridecane aldehyde
NIST Chemistry WebBook
tridecyl aldehyde
NIST Chemistry WebBook
Manual Xrefs
Databases
23643
ChemSpider
C00048560
KNApSAcK
FDB002897
FooDB
HMDB0030928
HMDB
LMFA06000074
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
10486-19-8
CAS Registry Number
ChemIDplus
10486-19-8
CAS Registry Number
NIST Chemistry WebBook
1760949
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19660770
PubMed citation
Europe PMC
20856967
PubMed citation
Europe PMC
22970932
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC
28682068
PubMed citation
Europe PMC
29417841
PubMed citation
Europe PMC
29559321
PubMed citation
Europe PMC
30445858
PubMed citation
Europe PMC
33449989
PubMed citation
Europe PMC
33922234
PubMed citation
Europe PMC
34170144
PubMed citation
Europe PMC
Last Modified
06 September 2021